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

14
Patents

254.1379 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.145176 159.6
[M+Na]+ 277.127118 165.9
[M-H]- 253.130624 157.8
[M+NH4]+ 272.171723 172.0
[M+K]+ 293.101058 163.2
[M+H-H2O]+ 237.135160 151.8
[M+HCOO]- 299.136101 178.1
[M+CH3COO]- 313.151751 198.3
[M+Na-2H]- 275.112566 160.9
[M]+ 254.13735142 158.4
[M]- 254.13844858 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

patents stripe