CID 216333

152264-27-2

Structural Information

Molecular Formula
C19H13ClN4O2
SMILES
C1=CC(=CN=C1)CN2C(=O)C3=C(C=CC(=C3)OC4=CC=C(C=C4)Cl)N=N2
InChI
InChI=1S/C19H13ClN4O2/c20-14-3-5-15(6-4-14)26-16-7-8-18-17(10-16)19(25)24(23-22-18)12-13-2-1-9-21-11-13/h1-11H,12H2
InChIKey
WMAAGKMIAITZNY-UHFFFAOYSA-N
Compound name
6-(4-chlorophenoxy)-3-(pyridin-3-ylmethyl)-1,2,3-benzotriazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

364.0727 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07998 184.7
[M+Na]+ 387.06192 195.8
[M-H]- 363.06542 189.8
[M+NH4]+ 382.10652 192.7
[M+K]+ 403.03586 187.5
[M+H-H2O]+ 347.06996 171.6
[M+HCOO]- 409.07090 198.0
[M+CH3COO]- 423.08655 194.2
[M+Na-2H]- 385.04737 191.8
[M]+ 364.07215 188.6
[M]- 364.07325 188.6
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

patents stripe