CID 21263171

Methionylhistidine

Structural Information

Molecular Formula
C11H18N4O3S
SMILES
CSCCC(C(=O)NC(CC1=CN=CN1)C(=O)O)N
InChI
InChI=1S/C11H18N4O3S/c1-19-3-2-8(12)10(16)15-9(11(17)18)4-7-5-13-6-14-7/h5-6,8-9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKey
MWAYJIAKVUBKKP-UHFFFAOYSA-N
Compound name
2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

286.10995 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11723 165.8
[M+Na]+ 309.09917 168.8
[M-H]- 285.10267 163.1
[M+NH4]+ 304.14377 178.1
[M+K]+ 325.07311 165.9
[M+H-H2O]+ 269.10721 157.8
[M+HCOO]- 331.10815 177.9
[M+CH3COO]- 345.12380 198.4
[M+Na-2H]- 307.08462 162.5
[M]+ 286.10940 164.3
[M]- 286.11050 164.3
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