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

160
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 199.0
[M+Na]+ 402.25158 213.1
[M+NH4]+ 397.29618 205.5
[M+K]+ 418.22552 204.7
[M-H]- 378.25508 201.7
[M+Na-2H]- 400.23703 205.1
[M]+ 379.26181 201.8
[M]- 379.26291 201.8
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