CID 2778369

649701-41-7

Structural Information

Molecular Formula
C14H14ClN3O
SMILES
C1CC1C2=NN(C(=C2)NC(=O)CCl)C3=CC=CC=C3
InChI
InChI=1S/C14H14ClN3O/c15-9-14(19)16-13-8-12(10-6-7-10)17-18(13)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,16,19)
InChIKey
LUHGBZCKARJBRO-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.08255 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.089826 161.1
[M+Na]+ 298.071768 170.9
[M-H]- 274.075274 168.6
[M+NH4]+ 293.116373 172.0
[M+K]+ 314.045708 164.3
[M+H-H2O]+ 258.079810 152.6
[M+HCOO]- 320.080751 180.0
[M+CH3COO]- 334.096401 172.5
[M+Na-2H]- 296.057216 164.1
[M]+ 275.08200142 164.8
[M]- 275.08309858 164.8
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.