CID 374218

Nsc651708

Structural Information

Molecular Formula
C20H15ClN4O
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NCN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C20H15ClN4O/c21-15-10-11-17(16(12-15)20(26)14-6-2-1-3-7-14)22-13-25-19-9-5-4-8-18(19)23-24-25/h1-12,22H,13H2
InChIKey
CVYBQZPOOPSHHE-UHFFFAOYSA-N
Compound name
[2-(benzotriazol-1-ylmethylamino)-5-chlorophenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.09344 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10072 183.5
[M+Na]+ 385.08266 193.4
[M-H]- 361.08616 190.6
[M+NH4]+ 380.12726 194.8
[M+K]+ 401.05660 185.1
[M+H-H2O]+ 345.09070 172.3
[M+HCOO]- 407.09164 200.6
[M+CH3COO]- 421.10729 193.8
[M+Na-2H]- 383.06811 188.6
[M]+ 362.09289 187.2
[M]- 362.09399 187.2
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.