CID 9660991

92441-07-1

Structural Information

Molecular Formula
C14H17N5O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C/C(=N/O)/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
(3Z)-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 169.1
[M+Na]+ 326.12237 176.5
[M-H]- 302.12587 174.0
[M+NH4]+ 321.16697 182.2
[M+K]+ 342.09631 173.4
[M+H-H2O]+ 286.13041 160.0
[M+HCOO]- 348.13135 193.3
[M+CH3COO]- 362.14700 211.3
[M+Na-2H]- 324.10782 170.1
[M]+ 303.13260 169.2
[M]- 303.13370 169.2
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.