CID 7015691

74938-90-2

Structural Information

Molecular Formula
C16H18N2O4
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C16H18N2O4/c1-22-14-9-11(8-10-4-2-3-5-12(10)14)18-16(21)13(17)6-7-15(19)20/h2-5,8-9,13H,6-7,17H2,1H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKey
JKMBFBPDQHOZTG-ZDUSSCGKSA-N
Compound name
(4S)-4-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12665 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.133926 168.8
[M+Na]+ 325.115868 173.5
[M-H]- 301.119374 171.1
[M+NH4]+ 320.160473 182.9
[M+K]+ 341.089808 171.0
[M+H-H2O]+ 285.123910 161.4
[M+HCOO]- 347.124851 188.9
[M+CH3COO]- 361.140501 208.2
[M+Na-2H]- 323.101316 170.9
[M]+ 302.12610142 168.8
[M]- 302.12719858 168.8
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

No patent data available for this compound.