CID 3425699

618092-00-5

Structural Information

Molecular Formula
C18H17N3O2
SMILES
CC1=CC=CC=C1C(=O)C2=C(N(N=C2)C3=CC=CC=C3OC)N
InChI
InChI=1S/C18H17N3O2/c1-12-7-3-4-8-13(12)17(22)14-11-20-21(18(14)19)15-9-5-6-10-16(15)23-2/h3-11H,19H2,1-2H3
InChIKey
UVPTXBMAEKJFPY-UHFFFAOYSA-N
Compound name
[5-amino-1-(2-methoxyphenyl)pyrazol-4-yl]-(2-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.13208 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 173.0
[M+Na]+ 330.12130 187.2
[M+NH4]+ 325.16590 180.0
[M+K]+ 346.09524 182.2
[M-H]- 306.12480 178.1
[M+Na-2H]- 328.10675 181.9
[M]+ 307.13153 176.4
[M]- 307.13263 176.4
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

No patent data available for this compound.