CID 62485

Octrizole

Structural Information

Molecular Formula
C20H25N3O
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
InChI
InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3
InChIKey
IYAZLDLPUNDVAG-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

41027
Patents

323.19977 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 183.7
[M+Na]+ 346.18899 193.1
[M-H]- 322.19249 186.9
[M+NH4]+ 341.23359 196.6
[M+K]+ 362.16293 187.2
[M+H-H2O]+ 306.19703 175.1
[M+HCOO]- 368.19797 199.3
[M+CH3COO]- 382.21362 208.5
[M+Na-2H]- 344.17444 188.8
[M]+ 323.19922 186.9
[M]- 323.20032 186.9
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