CID 20849429

20314-38-9

Structural Information

Molecular Formula
C11H18N4O3
SMILES
CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCCN
InChI
InChI=1S/C11H18N4O3/c1-15-7-13-6-8(15)5-9(11(17)18)14-10(16)3-2-4-12/h6-7,9H,2-5,12H2,1H3,(H,14,16)(H,17,18)/t9-/m0/s1
InChIKey
HXBKNURIXGGFCX-VIFPVBQESA-N
Compound name
(2S)-2-(4-aminobutanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

110
Patents

254.1379 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14518 159.2
[M+Na]+ 277.12712 163.9
[M-H]- 253.13062 158.3
[M+NH4]+ 272.17172 173.5
[M+K]+ 293.10106 162.3
[M+H-H2O]+ 237.13516 151.0
[M+HCOO]- 299.13610 179.2
[M+CH3COO]- 313.15175 197.3
[M+Na-2H]- 275.11257 159.1
[M]+ 254.13735 158.4
[M]- 254.13845 158.4
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.