PubChemLite - 74151-34-1 (C26H32Br2N4O)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCCC(C)NC1=NC(=NC2=C1C=C(C=C2)OC)/C=C/C3=C(C=C(C=C3)Br)Br

InChI

InChI=1S/C26H32Br2N4O/c1-5-32(6-2)15-7-8-18(3)29-26-22-17-21(33-4)12-13-24(22)30-25(31-26)14-10-19-9-11-20(27)16-23(19)28/h9-14,16-18H,5-8,15H2,1-4H3,(H,29,30,31)/b14-10+

InChIKey

YWPCLBUQOZWORF-GXDHUFHOSA-N

Compound name

4-N-[2-[(E)-2-(2,4-dibromophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	575.10158	208.4
[M+Na]+	597.08352	214.3
[M-H]-	573.08702	215.4
[M+NH4]+	592.12812	217.0
[M+K]+	613.05746	197.5
[M+H-H2O]+	557.09156	211.5
[M+HCOO]-	619.09250	220.0
[M+CH3COO]-	633.10815	251.9
[M+Na-2H]-	595.06897	209.7
[M]+	574.09375	245.1
[M]-	574.09485	245.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

575.10158

208.4

[M+Na]+

597.08352

214.3

[M-H]-

573.08702

215.4

[M+NH4]+

592.12812

217.0

[M+K]+

613.05746

197.5

[M+H-H2O]+

557.09156

211.5

[M+HCOO]-

619.09250

220.0

[M+CH3COO]-

633.10815

251.9

[M+Na-2H]-

595.06897

209.7

[M]+

574.09375

245.1

[M]-

574.09485

245.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

74151-34-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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