CID 753542

Leucine, n-(2,5-dimethyloxazolo(5,4-d)pyrimidin-7-yl)-, l-

Structural Information

Molecular Formula
C13H18N4O3
SMILES
CC1=NC(=C2C(=N1)OC(=N2)C)N[C@@H](CC(C)C)C(=O)O
InChI
InChI=1S/C13H18N4O3/c1-6(2)5-9(13(18)19)17-11-10-12(15-7(3)14-11)20-8(4)16-10/h6,9H,5H2,1-4H3,(H,18,19)(H,14,15,17)/t9-/m0/s1
InChIKey
OABYFRXECDYIIL-VIFPVBQESA-N
Compound name
(2S)-2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.13788 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14516 165.3
[M+Na]+ 301.12710 174.0
[M-H]- 277.13060 166.2
[M+NH4]+ 296.17170 178.3
[M+K]+ 317.10104 172.5
[M+H-H2O]+ 261.13514 157.3
[M+HCOO]- 323.13608 183.0
[M+CH3COO]- 337.15173 202.8
[M+Na-2H]- 299.11255 167.9
[M]+ 278.13733 170.1
[M]- 278.13843 170.1
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.