CID 11971050

1h-indole-2-methanamine, 5-nitro-3-phenyl-n,n-bis(phenylmethyl)-, monohydrochloride

Structural Information

Molecular Formula
C29H25N3O2
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=C(C4=C(N3)C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5
InChI
InChI=1S/C29H25N3O2/c33-32(34)25-16-17-27-26(18-25)29(24-14-8-3-9-15-24)28(30-27)21-31(19-22-10-4-1-5-11-22)20-23-12-6-2-7-13-23/h1-18,30H,19-21H2
InChIKey
ONRUODJEWKJFLA-UHFFFAOYSA-N
Compound name
N-benzyl-N-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.19467 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.20195 208.3
[M+Na]+ 470.18389 211.1
[M-H]- 446.18739 219.7
[M+NH4]+ 465.22849 215.5
[M+K]+ 486.15783 199.5
[M+H-H2O]+ 430.19193 200.0
[M+HCOO]- 492.19287 230.5
[M+CH3COO]- 506.20852 229.1
[M+Na-2H]- 468.16934 212.9
[M]+ 447.19412 206.5
[M]- 447.19522 206.5
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.