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 168.0
[M+Na]+ 305.13729 173.2
[M-H]- 281.14079 171.9
[M+NH4]+ 300.18189 182.0
[M+K]+ 321.11123 168.5
[M+H-H2O]+ 265.14533 158.4
[M+HCOO]- 327.14627 190.8
[M+CH3COO]- 341.16192 203.5
[M+Na-2H]- 303.12274 170.5
[M]+ 282.14752 166.4
[M]- 282.14862 166.4
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.