CID 13651385

107479-06-1

Structural Information

Molecular Formula
C25H32N4O2
SMILES
CC(=C)C(=O)NCC1=C(C(=CC(=C1)C(C)(C)CC(C)(C)C)N2N=C3C=CC=CC3=N2)O
InChI
InChI=1S/C25H32N4O2/c1-16(2)23(31)26-14-17-12-18(25(6,7)15-24(3,4)5)13-21(22(17)30)29-27-19-10-8-9-11-20(19)28-29/h8-13,30H,1,14-15H2,2-7H3,(H,26,31)
InChIKey
PUKBPIIUNNWYDU-UHFFFAOYSA-N
Compound name
N-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

813
Patents

420.25253 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.259806 209.1
[M+Na]+ 443.241748 215.7
[M-H]- 419.245254 212.2
[M+NH4]+ 438.286353 217.5
[M+K]+ 459.215688 209.9
[M+H-H2O]+ 403.249790 200.2
[M+HCOO]- 465.250731 222.6
[M+CH3COO]- 479.266381 231.0
[M+Na-2H]- 441.227196 210.1
[M]+ 420.25198142 212.5
[M]- 420.25307858 212.5
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