CID 16495618

928712-10-1

Structural Information

Molecular Formula
C15H13ClN4O2
SMILES
COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)CCl
InChI
InChI=1S/C15H13ClN4O2/c1-22-12-5-3-11(4-6-12)20-18-13-7-2-10(8-14(13)19-20)17-15(21)9-16/h2-8H,9H2,1H3,(H,17,21)
InChIKey
YKONCCSKKBLMDS-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.0727 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07998 169.6
[M+Na]+ 339.06192 180.4
[M-H]- 315.06542 174.1
[M+NH4]+ 334.10652 183.5
[M+K]+ 355.03586 174.5
[M+H-H2O]+ 299.06996 160.1
[M+HCOO]- 361.07090 187.5
[M+CH3COO]- 375.08655 181.2
[M+Na-2H]- 337.04737 175.2
[M]+ 316.07215 175.5
[M]- 316.07325 175.5
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.