CID 3022739

93859-40-6

Structural Information

Molecular Formula

C₂₄H₂₉N₃

SMILES

CCC1=CC(=CC(=C1N)CC)CC2=C(C=CC(=C2)CC3=CC=C(C=C3)N)N

InChI

InChI=1S/C24H29N3/c1-3-19-13-18(14-20(4-2)24(19)27)15-21-12-17(7-10-23(21)26)11-16-5-8-22(25)9-6-16/h5-10,12-14H,3-4,11,15,25-27H2,1-2H3

InChIKey

OBHZIYINRONOGB-UHFFFAOYSA-N

Compound name

4-[[2-amino-5-[(4-aminophenyl)methyl]phenyl]methyl]-2,6-diethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 359.23615 Da
Monoisotopic Mass: 5.3
XlogP (predicted)

Profile

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]+	360.243426	193.2
[M+Na]+	382.225368	199.8
[M-H]-	358.228874	201.8
[M+NH4]+	377.269973	204.9
[M+K]+	398.199308	192.3
[M+H-H2O]+	342.233410	183.4
[M+HCOO]-	404.234351	216.5
[M+CH3COO]-	418.250001	228.4
[M+Na-2H]-	380.210816	192.1
[M]+	359.23560142	190.6
[M]-	359.23669858	190.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe