CID 57381425

Acy-738

Structural Information

Molecular Formula
C14H14N4O2
SMILES
C1CC1(C2=CC=CC=C2)NC3=NC=C(C=N3)C(=O)NO
InChI
InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)
InChIKey
LIIWIMDSZVNYHY-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

701
Patents

270.11166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.118936 161.3
[M+Na]+ 293.100878 169.4
[M-H]- 269.104384 167.9
[M+NH4]+ 288.145483 170.5
[M+K]+ 309.074818 164.9
[M+H-H2O]+ 253.108920 153.0
[M+HCOO]- 315.109861 183.9
[M+CH3COO]- 329.125511 171.8
[M+Na-2H]- 291.086326 169.5
[M]+ 270.11111142 161.7
[M]- 270.11220858 161.7
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.