CID 135465515

Schembl6453674

Structural Information

Molecular Formula
C23H22N2O
SMILES
CC1=CC(=NN1C2=CC=C(C=C2)C(C)C)C3=C(C4=CC=CC=C4C=C3)O
InChI
InChI=1S/C23H22N2O/c1-15(2)17-8-11-19(12-9-17)25-16(3)14-22(24-25)21-13-10-18-6-4-5-7-20(18)23(21)26/h4-15,26H,1-3H3
InChIKey
DIQUGERRAPBYBY-UHFFFAOYSA-N
Compound name
2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

342.17322 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18050 184.8
[M+Na]+ 365.16244 194.7
[M-H]- 341.16594 192.6
[M+NH4]+ 360.20704 197.8
[M+K]+ 381.13638 187.3
[M+H-H2O]+ 325.17048 174.9
[M+HCOO]- 387.17142 204.2
[M+CH3COO]- 401.18707 195.6
[M+Na-2H]- 363.14789 186.1
[M]+ 342.17267 187.1
[M]- 342.17377 187.1
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