CID 18411385

Alanyllysyllysine

Structural Information

Molecular Formula
C15H31N5O4
SMILES
CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)N
InChI
InChI=1S/C15H31N5O4/c1-10(18)13(21)19-11(6-2-4-8-16)14(22)20-12(15(23)24)7-3-5-9-17/h10-12H,2-9,16-18H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKey
VCSABYLVNWQYQE-UHFFFAOYSA-N
Compound name
6-amino-2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22881
Patents

345.2376 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.244876 186.6
[M+Na]+ 368.226818 184.7
[M-H]- 344.230324 182.5
[M+NH4]+ 363.271423 193.7
[M+K]+ 384.200758 185.0
[M+H-H2O]+ 328.234860 177.8
[M+HCOO]- 390.235801 204.6
[M+CH3COO]- 404.251451 226.3
[M+Na-2H]- 366.212266 179.4
[M]+ 345.23705142 181.6
[M]- 345.23814858 181.6
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.