PubChemLite - N4-(2-(4-bromostyryl)-7-chloroquinazolin-4-yl)-n1,n1-diethylpentane-1,4-diamine (C25H30BrClN4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H30BrClN4/c1-4-31(5-2)16-6-7-18(3)28-25-22-14-13-21(27)17-23(22)29-24(30-25)15-10-19-8-11-20(26)12-9-19/h8-15,17-18H,4-7,16H2,1-3H3,(H,28,29,30)/b15-10+

InChIKey

SDPFFPOZNWFUGT-XNTDXEJSSA-N

Compound name

4-N-[2-[(E)-2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-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]+	501.14153	214.4
[M+Na]+	523.12347	219.2
[M+NH4]+	518.16807	218.0
[M+K]+	539.09741	214.9
[M-H]-	499.12697	217.9
[M+Na-2H]-	521.10892	217.7
[M]+	500.13370	215.3
[M]-	500.13480	215.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

501.14153

214.4

[M+Na]+

523.12347

219.2

[M+NH4]+

518.16807

218.0

[M+K]+

539.09741

214.9

[M-H]-

499.12697

217.9

[M+Na-2H]-

521.10892

217.7

[M]+

500.13370

215.3

[M]-

500.13480

215.3

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

N4-(2-(4-bromostyryl)-7-chloroquinazolin-4-yl)-n1,n1-diethylpentane-1,4-diamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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