CID 3068221

D-(+)-ambamide

Structural Information

Molecular Formula
C13H19N5O4
SMILES
CC[C@H](CO)NC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C13H19N5O4/c1-4-8(6-19)15-9(20)5-18-7-14-11-10(18)12(21)17(3)13(22)16(11)2/h7-8,19H,4-6H2,1-3H3,(H,15,20)/t8-/m1/s1
InChIKey
RAJOZBBPJBDOMX-MRVPVSSYSA-N
Compound name
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1437 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15098 170.2
[M+Na]+ 332.13292 181.1
[M-H]- 308.13642 169.9
[M+NH4]+ 327.17752 182.3
[M+K]+ 348.10686 177.5
[M+H-H2O]+ 292.14096 162.0
[M+HCOO]- 354.14190 188.9
[M+CH3COO]- 368.15755 207.5
[M+Na-2H]- 330.11837 172.1
[M]+ 309.14315 176.1
[M]- 309.14425 176.1
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.