CID 118327

2-(2h-benzotriazol-2-yl)-4-(tert-butyl)-6-(sec-butyl)phenol

Structural Information

Molecular Formula
C20H25N3O
SMILES
CCC(C)C1=C(C(=CC(=C1)C(C)(C)C)N2N=C3C=CC=CC3=N2)O
InChI
InChI=1S/C20H25N3O/c1-6-13(2)15-11-14(20(3,4)5)12-18(19(15)24)23-21-16-9-7-8-10-17(16)22-23/h7-13,24H,6H2,1-5H3
InChIKey
RTNVDKBRTXEWQE-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-6-butan-2-yl-4-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8492
Patents

323.19977 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.207046 182.6
[M+Na]+ 346.188988 192.2
[M-H]- 322.192494 185.9
[M+NH4]+ 341.233593 195.6
[M+K]+ 362.162928 186.3
[M+H-H2O]+ 306.197030 173.8
[M+HCOO]- 368.197971 198.8
[M+CH3COO]- 382.213621 210.0
[M+Na-2H]- 344.174436 184.9
[M]+ 323.19922142 186.1
[M]- 323.20031858 186.1
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