CID 6918191

Vorozole

Structural Information

Molecular Formula
C16H13ClN6
SMILES
CN1C2=C(C=CC(=C2)[C@H](C3=CC=C(C=C3)Cl)N4C=NC=N4)N=N1
InChI
InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1
InChIKey
XLMPPFTZALNBFS-INIZCTEOSA-N
Compound name
6-[(S)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

170
References

39210
Patents

324.08902 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09630 170.7
[M+Na]+ 347.07824 188.2
[M+NH4]+ 342.12284 178.0
[M+K]+ 363.05218 183.9
[M-H]- 323.08174 174.2
[M+Na-2H]- 345.06369 180.8
[M]+ 324.08847 174.6
[M]- 324.08957 174.6
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

patents stripe