CID 16787779

N-(3-aminophenyl)-2-(1h-pyrazol-1-yl)propanamide

Structural Information

Molecular Formula
C12H14N4O
SMILES
CC(C(=O)NC1=CC=CC(=C1)N)N2C=CC=N2
InChI
InChI=1S/C12H14N4O/c1-9(16-7-3-6-14-16)12(17)15-11-5-2-4-10(13)8-11/h2-9H,13H2,1H3,(H,15,17)
InChIKey
VZYBXFXNZQPKLM-UHFFFAOYSA-N
Compound name
N-(3-aminophenyl)-2-pyrazol-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12404 152.0
[M+Na]+ 253.10598 162.1
[M+NH4]+ 248.15058 158.6
[M+K]+ 269.07992 159.1
[M-H]- 229.10948 154.6
[M+Na-2H]- 251.09143 158.8
[M]+ 230.11621 153.7
[M]- 230.11731 153.7
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.

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No patent data available for this compound.