CID 5273832

N-[2-oxo-2-[[phenyl-(3-phenylphenyl)methyl]amino]ethyl]benzotriazole-1-carboxamide

Structural Information

Molecular Formula
C28H23N5O2
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C(C3=CC=CC=C3)NC(=O)CNC(=O)N4C5=CC=CC=C5N=N4
InChI
InChI=1S/C28H23N5O2/c34-26(19-29-28(35)33-25-17-8-7-16-24(25)31-32-33)30-27(21-12-5-2-6-13-21)23-15-9-14-22(18-23)20-10-3-1-4-11-20/h1-18,27H,19H2,(H,29,35)(H,30,34)
InChIKey
BWPMEKYZBOVNNO-UHFFFAOYSA-N
Compound name
N-[2-oxo-2-[[phenyl-(3-phenylphenyl)methyl]amino]ethyl]benzotriazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

461.18518 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.192456 207.7
[M+Na]+ 484.174398 211.8
[M-H]- 460.177904 217.2
[M+NH4]+ 479.219003 212.3
[M+K]+ 500.148338 204.5
[M+H-H2O]+ 444.182440 194.4
[M+HCOO]- 506.183381 227.0
[M+CH3COO]- 520.199031 214.6
[M+Na-2H]- 482.159846 211.7
[M]+ 461.18463142 207.2
[M]- 461.18572858 207.2
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

No patent data available for this compound.