CID 2113070

2-chloro-n-[3-(2,5-dimethylphenyl)-1-phenyl-1h-pyrazol-5-yl]acetamide

Structural Information

Molecular Formula
C19H18ClN3O
SMILES
CC1=CC(=C(C=C1)C)C2=NN(C(=C2)NC(=O)CCl)C3=CC=CC=C3
InChI
InChI=1S/C19H18ClN3O/c1-13-8-9-14(2)16(10-13)17-11-18(21-19(24)12-20)23(22-17)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,24)
InChIKey
HDBDWVJFZFZESW-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.11383 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.121106 181.0
[M+Na]+ 362.103048 190.1
[M-H]- 338.106554 188.6
[M+NH4]+ 357.147653 194.2
[M+K]+ 378.076988 182.9
[M+H-H2O]+ 322.111090 171.2
[M+HCOO]- 384.112031 198.8
[M+CH3COO]- 398.127681 191.9
[M+Na-2H]- 360.088496 181.9
[M]+ 339.11328142 184.1
[M]- 339.11437858 184.1
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

No patent data available for this compound.