CID 853521

4-benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol

Structural Information

Molecular Formula
C21H27N3O
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C21H27N3O/c1-20(2,3)15-11-14(12-16(19(15)25)21(4,5)6)13-24-18-10-8-7-9-17(18)22-23-24/h7-12,25H,13H2,1-6H3
InChIKey
GWSPSHZOUXLFPN-UHFFFAOYSA-N
Compound name
4-(benzotriazol-1-ylmethyl)-2,6-ditert-butylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 188.7
[M+Na]+ 360.20464 198.6
[M-H]- 336.20814 192.2
[M+NH4]+ 355.24924 201.4
[M+K]+ 376.17858 192.6
[M+H-H2O]+ 320.21268 180.3
[M+HCOO]- 382.21362 203.9
[M+CH3COO]- 396.22927 212.0
[M+Na-2H]- 358.19009 192.5
[M]+ 337.21487 192.6
[M]- 337.21597 192.6
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

No patent data available for this compound.