CID 14297369

Schembl1603016

Structural Information

Molecular Formula
C22H29N3O
SMILES
CC(C)(C)CC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC(C)(C)C
InChI
InChI=1S/C22H29N3O/c1-21(2,3)13-15-11-16(14-22(4,5)6)20(26)19(12-15)25-23-17-9-7-8-10-18(17)24-25/h7-12,26H,13-14H2,1-6H3
InChIKey
IMJYRYAZVATGLW-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

351.23105 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 193.3
[M+Na]+ 374.22027 202.7
[M-H]- 350.22377 196.6
[M+NH4]+ 369.26487 205.4
[M+K]+ 390.19421 196.5
[M+H-H2O]+ 334.22831 184.6
[M+HCOO]- 396.22925 208.1
[M+CH3COO]- 410.24490 214.9
[M+Na-2H]- 372.20572 196.6
[M]+ 351.23050 197.4
[M]- 351.23160 197.4
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