CID 18219930

Cik

Structural Information

Molecular Formula
C15H30N4O4S
SMILES
CCC(C)C(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CS)N
InChI
InChI=1S/C15H30N4O4S/c1-3-9(2)12(19-13(20)10(17)8-24)14(21)18-11(15(22)23)6-4-5-7-16/h9-12,24H,3-8,16-17H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)
InChIKey
KCSDYJSCUWLILX-UHFFFAOYSA-N
Compound name
6-amino-2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-methylpentanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1988 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20608 190.1
[M+Na]+ 385.18802 187.8
[M-H]- 361.19152 185.8
[M+NH4]+ 380.23262 199.4
[M+K]+ 401.16196 187.0
[M+H-H2O]+ 345.19606 181.6
[M+HCOO]- 407.19700 200.6
[M+CH3COO]- 421.21265 225.5
[M+Na-2H]- 383.17347 181.1
[M]+ 362.19825 188.2
[M]- 362.19935 188.2
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.