CID 2393543

92441-07-1

Structural Information

Molecular Formula
C14H17N5O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC(=NO)N
InChI
InChI=1S/C14H17N5O3/c1-9-13(16-12(20)8-11(15)17-22)14(21)19(18(9)2)10-6-4-3-5-7-10/h3-7,22H,8H2,1-2H3,(H2,15,17)(H,16,20)
InChIKey
AYLZLERRZYVVHQ-UHFFFAOYSA-N
Compound name
3-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-hydroxyiminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.13315 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14043 169.7
[M+Na]+ 326.12237 178.3
[M+NH4]+ 321.16697 173.7
[M+K]+ 342.09631 176.9
[M-H]- 302.12587 171.2
[M+Na-2H]- 324.10782 173.8
[M]+ 303.13260 170.7
[M]- 303.13370 170.7
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.

Patent stripe

No patent data available for this compound.