CID 118838544

2810-37-9

Structural Information

Molecular Formula
C17H16N4O2
SMILES
C1=CC=C(C(=C1)C=O)C(=O)NCCCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C17H16N4O2/c22-12-13-6-1-2-7-14(13)17(23)18-10-5-11-21-16-9-4-3-8-15(16)19-20-21/h1-4,6-9,12H,5,10-11H2,(H,18,23)
InChIKey
SFHMVMJOPDDMNQ-UHFFFAOYSA-N
Compound name
N-[3-(benzotriazol-1-yl)propyl]-2-formylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12732 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 171.3
[M+Na]+ 331.11654 185.0
[M+NH4]+ 326.16114 177.6
[M+K]+ 347.09048 179.5
[M-H]- 307.12004 173.8
[M+Na-2H]- 329.10199 179.0
[M]+ 308.12677 173.8
[M]- 308.12787 173.8
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.