PubChemLite - 38615-38-2 (C38H55N3O2)

Structural Information

Molecular Formula

SMILES

CCCCCCCC(=O)NC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)N(CC)CC)C)C3=C(C=C(C=C3)N(CC)CC)C)OC

InChI

InChI=1S/C38H55N3O2/c1-9-14-15-16-17-18-37(42)39-35-24-19-30(27-36(35)43-8)38(33-22-20-31(25-28(33)6)40(10-2)11-3)34-23-21-32(26-29(34)7)41(12-4)13-5/h19-27,38H,9-18H2,1-8H3,(H,39,42)

InChIKey

LJQRYPCDQQFASR-UHFFFAOYSA-N

Compound name

N-[4-[bis[4-(diethylamino)-2-methylphenyl]methyl]-2-methoxyphenyl]octanamide

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]+	586.43672	259.8
[M+Na]+	608.41866	270.5
[M+NH4]+	603.46326	264.5
[M+K]+	624.39260	260.6
[M-H]-	584.42216	267.7
[M+Na-2H]-	606.40411	265.5
[M]+	585.42889	263.6
[M]-	585.42999	263.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

586.43672

259.8

[M+Na]+

608.41866

270.5

[M+NH4]+

603.46326

264.5

[M+K]+

624.39260

260.6

[M-H]-

584.42216

267.7

[M+Na-2H]-

606.40411

265.5

[M]+

585.42889

263.6

[M]-

585.42999

263.6

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

38615-38-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe