CID 1828737

306302-28-3

Structural Information

Molecular Formula
C16H16N4O
SMILES
C1CC1C2=CC(=NN2)C(=O)N/N=C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C16H16N4O/c21-16(15-11-14(18-19-15)13-8-9-13)20-17-10-4-7-12-5-2-1-3-6-12/h1-7,10-11,13H,8-9H2,(H,18,19)(H,20,21)/b7-4+,17-10+
InChIKey
GWLCIEXXLRESPN-CUQLSPFUSA-N
Compound name
5-cyclopropyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

280.13242 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 165.2
[M+Na]+ 303.12164 172.7
[M-H]- 279.12514 172.6
[M+NH4]+ 298.16624 174.5
[M+K]+ 319.09558 165.9
[M+H-H2O]+ 263.12968 155.9
[M+HCOO]- 325.13062 189.6
[M+CH3COO]- 339.14627 203.7
[M+Na-2H]- 301.10709 169.1
[M]+ 280.13187 165.3
[M]- 280.13297 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe