CID 77470

3864-99-1

Structural Information

Molecular Formula
C20H24ClN3O
SMILES
CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
InChI
InChI=1S/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3
InChIKey
UWSMKYBKUPAEJQ-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

34238
Patents

357.1608 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16808 191.3
[M+Na]+ 380.15002 203.1
[M-H]- 356.15352 195.0
[M+NH4]+ 375.19462 204.3
[M+K]+ 396.12396 195.9
[M+H-H2O]+ 340.15806 183.2
[M+HCOO]- 402.15900 202.0
[M+CH3COO]- 416.17465 213.8
[M+Na-2H]- 378.13547 194.3
[M]+ 357.16025 197.2
[M]- 357.16135 197.2
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