CID 71268

Ipramidil

Structural Information

Molecular Formula
C10H16N4O4
SMILES
CC(C)NC(=O)C1=NO[N+](=C1C(=O)NC(C)C)[O-]
InChI
InChI=1S/C10H16N4O4/c1-5(2)11-9(15)7-8(14(17)18-13-7)10(16)12-6(3)4/h5-6H,1-4H3,(H,11,15)(H,12,16)
InChIKey
JSKUFGFVEPNZDX-UHFFFAOYSA-N
Compound name
2-oxido-3-N,4-N-di(propan-2-yl)-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

53
Patents

256.11716 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.124436 157.6
[M+Na]+ 279.106378 163.2
[M-H]- 255.109884 158.5
[M+NH4]+ 274.150983 170.7
[M+K]+ 295.080318 158.9
[M+H-H2O]+ 239.114420 154.8
[M+HCOO]- 301.115361 177.5
[M+CH3COO]- 315.131011 189.8
[M+Na-2H]- 277.091826 160.9
[M]+ 256.11661142 156.8
[M]- 256.11770858 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe