CID 76594

2-(2h-benzotriazol-2-yl)-4-dodecylphenol

Structural Information

Molecular Formula
C24H33N3O
SMILES
CCCCCCCCCCCCC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
InChI
InChI=1S/C24H33N3O/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24(28)23(19-20)27-25-21-15-12-13-16-22(21)26-27/h12-13,15-19,28H,2-11,14H2,1H3
InChIKey
RKVRWKDTXOIXNG-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-4-dodecylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

165
Patents

379.26236 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.26964 198.2
[M+Na]+ 402.25158 204.8
[M-H]- 378.25508 199.7
[M+NH4]+ 397.29618 208.4
[M+K]+ 418.22552 196.9
[M+H-H2O]+ 362.25962 187.1
[M+HCOO]- 424.26056 215.7
[M+CH3COO]- 438.27621 219.7
[M+Na-2H]- 400.23703 199.3
[M]+ 379.26181 203.7
[M]- 379.26291 203.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe