CID 103158

Einecs 265-389-3

Structural Information

Molecular Formula
C27H28N4
SMILES
C1=CC(=CC=C1CC2=C(C=CC(=C2)CC3=CC(=C(C=C3)N)CC4=CC=C(C=C4)N)N)N
InChI
InChI=1S/C27H28N4/c28-24-7-1-18(2-8-24)14-22-16-20(5-11-26(22)30)13-21-6-12-27(31)23(17-21)15-19-3-9-25(29)10-4-19/h1-12,16-17H,13-15,28-31H2
InChIKey
BCYHURLIXRJERG-UHFFFAOYSA-N
Compound name
4-[[4-amino-3-[(4-aminophenyl)methyl]phenyl]methyl]-2-[(4-aminophenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.23138 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.23866 203.2
[M+Na]+ 431.22060 208.9
[M-H]- 407.22410 214.0
[M+NH4]+ 426.26520 211.4
[M+K]+ 447.19454 200.3
[M+H-H2O]+ 391.22864 191.9
[M+HCOO]- 453.22958 226.8
[M+CH3COO]- 467.24523 211.2
[M+Na-2H]- 429.20605 203.0
[M]+ 408.23083 197.6
[M]- 408.23193 197.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.