CID 77455

3846-71-7

Structural Information

Molecular Formula
C20H25N3O
SMILES
CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C
InChI
InChI=1S/C20H25N3O/c1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h7-12,24H,1-6H3
InChIKey
LHPPDQUVECZQSW-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

26964
Patents

323.19977 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.207046 184.1
[M+Na]+ 346.188988 194.5
[M-H]- 322.192494 187.9
[M+NH4]+ 341.233593 197.5
[M+K]+ 362.162928 188.7
[M+H-H2O]+ 306.197030 175.9
[M+HCOO]- 368.197971 199.7
[M+CH3COO]- 382.213621 209.0
[M+Na-2H]- 344.174436 188.5
[M]+ 323.19922142 187.7
[M]- 323.20031858 187.7
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