CID 103840

53810-90-5

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CC1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C(=C)C
InChI
InChI=1S/C14H15N3O2/c1-9(2)13(18)15-12-10(3)14(19)17(16-12)11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3,(H,15,16,18)
InChIKey
USZJJZWWWUQAIC-UHFFFAOYSA-N
Compound name
2-methyl-N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

257.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.123696 159.1
[M+Na]+ 280.105638 166.8
[M-H]- 256.109144 163.8
[M+NH4]+ 275.150243 174.9
[M+K]+ 296.079578 163.3
[M+H-H2O]+ 240.113680 150.9
[M+HCOO]- 302.114621 180.3
[M+CH3COO]- 316.130271 198.0
[M+Na-2H]- 278.091086 159.7
[M]+ 257.11587142 158.4
[M]- 257.11696858 158.4
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

patents stripe