CID 125104

7-lys-ala-4-mca

Structural Information

Molecular Formula
C19H26N4O4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C19H26N4O4/c1-11-9-17(24)27-16-10-13(6-7-14(11)16)23-18(25)12(2)22-19(26)15(21)5-3-4-8-20/h6-7,9-10,12,15H,3-5,8,20-21H2,1-2H3,(H,22,26)(H,23,25)/t12-,15-/m0/s1
InChIKey
BEIXTDYXKGFYLC-WFASDCNBSA-N
Compound name
(2S)-2,6-diamino-N-[(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

374.1954 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20268 191.9
[M+Na]+ 397.18462 198.2
[M+NH4]+ 392.22922 195.4
[M+K]+ 413.15856 195.2
[M-H]- 373.18812 194.4
[M+Na-2H]- 395.17007 192.3
[M]+ 374.19485 192.8
[M]- 374.19595 192.8
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

patents stripe