CID 25203987

(s)-argpyrimidine

Structural Information

Molecular Formula
C11H18N4O3
SMILES
CC1=C(C(=NC(=N1)NCCCC(C(=O)O)N)C)O
InChI
InChI=1S/C11H18N4O3/c1-6-9(16)7(2)15-11(14-6)13-5-3-4-8(12)10(17)18/h8,16H,3-5,12H2,1-2H3,(H,17,18)(H,13,14,15)
InChIKey
DCPBQSFZQHFSMR-UHFFFAOYSA-N
Compound name
2-amino-5-[(5-hydroxy-4,6-dimethylpyrimidin-2-yl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

254.1379 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14518 158.8
[M+Na]+ 277.12712 166.8
[M+NH4]+ 272.17172 162.7
[M+K]+ 293.10106 164.3
[M-H]- 253.13062 157.5
[M+Na-2H]- 275.11257 160.7
[M]+ 254.13735 158.9
[M]- 254.13845 158.9
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

patents stripe