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]+ 462.19246 207.7
[M+Na]+ 484.17440 211.8
[M-H]- 460.17790 217.2
[M+NH4]+ 479.21900 212.3
[M+K]+ 500.14834 204.5
[M+H-H2O]+ 444.18244 194.4
[M+HCOO]- 506.18338 227.0
[M+CH3COO]- 520.19903 214.6
[M+Na-2H]- 482.15985 211.7
[M]+ 461.18463 207.2
[M]- 461.18573 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.