CID 86375

23328-53-2

Structural Information

Molecular Formula
C25H35N3O
SMILES
CCCCCCCCCCCCC1=C(C(=CC(=C1)C)N2N=C3C=CC=CC3=N2)O
InChI
InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-21-18-20(2)19-24(25(21)29)28-26-22-16-13-14-17-23(22)27-28/h13-14,16-19,29H,3-12,15H2,1-2H3
InChIKey
VQMHSKWEJGIXGA-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-6-dodecyl-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12835
Patents

393.278 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.28528 203.8
[M+Na]+ 416.26722 218.1
[M+NH4]+ 411.31182 210.1
[M+K]+ 432.24116 209.6
[M-H]- 392.27072 206.6
[M+Na-2H]- 414.25267 209.3
[M]+ 393.27745 206.7
[M]- 393.27855 206.7
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