CID 43376272

3-amino-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide

Structural Information

Molecular Formula
C12H14N4O3
SMILES
CN1CC(=O)N(C1=O)CC2=C(C=C(C=C2)C(=O)N)N
InChI
InChI=1S/C12H14N4O3/c1-15-6-10(17)16(12(15)19)5-8-3-2-7(11(14)18)4-9(8)13/h2-4H,5-6,13H2,1H3,(H2,14,18)
InChIKey
WKTRMDQSILHKDP-UHFFFAOYSA-N
Compound name
3-amino-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1066 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11388 158.5
[M+Na]+ 285.09582 167.0
[M-H]- 261.09932 162.7
[M+NH4]+ 280.14042 173.5
[M+K]+ 301.06976 163.6
[M+H-H2O]+ 245.10386 150.5
[M+HCOO]- 307.10480 179.8
[M+CH3COO]- 321.12045 201.8
[M+Na-2H]- 283.08127 157.5
[M]+ 262.10605 156.0
[M]- 262.10715 156.0
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.