CID 1606508

307975-75-3

Structural Information

Molecular Formula
C16H18N4O
SMILES
CC(C)C1=CC(=NN1)C(=O)N/N=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C16H18N4O/c1-12(2)14-11-15(19-18-14)16(21)20-17-10-6-9-13-7-4-3-5-8-13/h3-12H,1-2H3,(H,18,19)(H,20,21)/b9-6+,17-10+
InChIKey
QSRXOWOXTJFHIX-PNTUOKEUSA-N
Compound name
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

282.14807 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15535 168.5
[M+Na]+ 305.13729 178.3
[M+NH4]+ 300.18189 174.1
[M+K]+ 321.11123 173.9
[M-H]- 281.14079 170.7
[M+Na-2H]- 303.12274 174.6
[M]+ 282.14752 170.0
[M]- 282.14862 170.0
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

No patent data available for this compound.