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-(5-cyclopropyl-2-phenylpyrazol-3-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]+ 276.08983 161.1
[M+Na]+ 298.07177 170.9
[M-H]- 274.07527 168.6
[M+NH4]+ 293.11637 172.0
[M+K]+ 314.04571 164.3
[M+H-H2O]+ 258.07981 152.6
[M+HCOO]- 320.08075 180.0
[M+CH3COO]- 334.09640 172.5
[M+Na-2H]- 296.05722 164.1
[M]+ 275.08200 164.8
[M]- 275.08310 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.