CID 44722292

303107-94-0

Structural Information

Molecular Formula
C16H20N4O
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=O)C2=NNC(=C2)C(C)C)/C
InChI
InChI=1S/C16H20N4O/c1-10(2)14-9-15(19-18-14)16(21)20-17-12(4)13-7-5-11(3)6-8-13/h5-10H,1-4H3,(H,18,19)(H,20,21)/b17-12+
InChIKey
ZAXKRNJHCSQEAH-SFQUDFHCSA-N
Compound name
N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1637 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17098 169.2
[M+Na]+ 307.15292 174.8
[M-H]- 283.15642 173.6
[M+NH4]+ 302.19752 183.4
[M+K]+ 323.12686 171.2
[M+H-H2O]+ 267.16096 160.1
[M+HCOO]- 329.16190 190.9
[M+CH3COO]- 343.17755 207.1
[M+Na-2H]- 305.13837 169.8
[M]+ 284.16315 168.3
[M]- 284.16425 168.3
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.