CID 5017451

N-benzyl-4-[[4-(benzylamino)phenyl]methyl]aniline

Structural Information

Molecular Formula
C27H26N2
SMILES
C1=CC=C(C=C1)CNC2=CC=C(C=C2)CC3=CC=C(C=C3)NCC4=CC=CC=C4
InChI
InChI=1S/C27H26N2/c1-3-7-24(8-4-1)20-28-26-15-11-22(12-16-26)19-23-13-17-27(18-14-23)29-21-25-9-5-2-6-10-25/h1-18,28-29H,19-21H2
InChIKey
LAAHVRSMWAXJMP-UHFFFAOYSA-N
Compound name
N-benzyl-4-[[4-(benzylamino)phenyl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

378.2096 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21688 192.6
[M+Na]+ 401.19882 196.2
[M-H]- 377.20232 203.7
[M+NH4]+ 396.24342 202.4
[M+K]+ 417.17276 187.9
[M+H-H2O]+ 361.20686 180.9
[M+HCOO]- 423.20780 216.7
[M+CH3COO]- 437.22345 201.3
[M+Na-2H]- 399.18427 198.1
[M]+ 378.20905 189.9
[M]- 378.21015 189.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe