CID 76605

3147-76-0

Structural Information

Molecular Formula
C16H17N3O
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
InChI
InChI=1S/C16H17N3O/c1-16(2,3)11-8-9-15(20)14(10-11)19-17-12-6-4-5-7-13(12)18-19/h4-10,20H,1-3H3
InChIKey
WXHVQMGINBSVAY-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-4-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

16718
Patents

267.13718 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 164.6
[M+Na]+ 290.126398 175.5
[M-H]- 266.129904 168.1
[M+NH4]+ 285.171003 179.7
[M+K]+ 306.100338 169.9
[M+H-H2O]+ 250.134440 156.1
[M+HCOO]- 312.135381 183.3
[M+CH3COO]- 326.151031 176.5
[M+Na-2H]- 288.111846 170.8
[M]+ 267.13663142 167.0
[M]- 267.13772858 167.0
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