CID 6475742

Lys-fmdp

Structural Information

Molecular Formula
C14H24N4O6
SMILES
COC(=O)/C=C/C(=O)NCC(C(=O)O)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C14H24N4O6/c1-24-12(20)6-5-11(19)17-8-10(14(22)23)18-13(21)9(16)4-2-3-7-15/h5-6,9-10H,2-4,7-8,15-16H2,1H3,(H,17,19)(H,18,21)(H,22,23)/b6-5+/t9-,10?/m0/s1
InChIKey
SDVKJLYNAOLHBS-JFJMBRGZSA-N
Compound name
2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

344.1696 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17688 181.5
[M+Na]+ 367.15882 181.3
[M-H]- 343.16232 178.1
[M+NH4]+ 362.20342 192.0
[M+K]+ 383.13276 181.7
[M+H-H2O]+ 327.16686 173.3
[M+HCOO]- 389.16780 185.4
[M+CH3COO]- 403.18345 219.9
[M+Na-2H]- 365.14427 175.9
[M]+ 344.16905 179.2
[M]- 344.17015 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.