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 170.9
[M+Na]+ 331.11654 179.5
[M-H]- 307.12004 175.0
[M+NH4]+ 326.16114 183.9
[M+K]+ 347.09048 174.0
[M+H-H2O]+ 291.12458 160.6
[M+HCOO]- 353.12552 193.1
[M+CH3COO]- 367.14117 181.8
[M+Na-2H]- 329.10199 176.8
[M]+ 308.12677 174.3
[M]- 308.12787 174.3
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.