CID 45791613

2-chloro-n-{2-[(3-methylphenyl)methyl]-2,3-dihydro-1h-pyrazol-3-ylidene}acetamide

Structural Information

Molecular Formula
C13H14ClN3O
SMILES
CC1=CC(=CC=C1)CN2C(=CC=N2)NC(=O)CCl
InChI
InChI=1S/C13H14ClN3O/c1-10-3-2-4-11(7-10)9-17-12(5-6-15-17)16-13(18)8-14/h2-7H,8-9H2,1H3,(H,16,18)
InChIKey
JBSTXWDVBSKUNK-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.08255 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08983 159.2
[M+Na]+ 286.07177 167.8
[M-H]- 262.07527 163.3
[M+NH4]+ 281.11637 175.5
[M+K]+ 302.04571 162.6
[M+H-H2O]+ 246.07981 150.8
[M+HCOO]- 308.08075 177.8
[M+CH3COO]- 322.09640 196.5
[M+Na-2H]- 284.05722 162.4
[M]+ 263.08200 161.7
[M]- 263.08310 161.7
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.