CID 6100742

L-alanine, n-((4-oxo-3(4h)-quinazolinyl)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C12H13N3O3
SMILES
C[C@@H](C(=O)O)NCN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C12H13N3O3/c1-8(12(17)18)13-6-15-7-14-10-5-3-2-4-9(10)11(15)16/h2-5,7-8,13H,6H2,1H3,(H,17,18)/t8-/m0/s1
InChIKey
OPBAXLAARYYWIM-QMMMGPOBSA-N
Compound name
(2S)-2-[(4-oxoquinazolin-3-yl)methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09569 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10297 153.2
[M+Na]+ 270.08491 164.9
[M+NH4]+ 265.12951 159.1
[M+K]+ 286.05885 160.2
[M-H]- 246.08841 153.3
[M+Na-2H]- 268.07036 158.1
[M]+ 247.09514 154.5
[M]- 247.09624 154.5
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.