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]+ 303.13393 168.8
[M+Na]+ 325.11587 173.5
[M-H]- 301.11937 171.1
[M+NH4]+ 320.16047 182.9
[M+K]+ 341.08981 171.0
[M+H-H2O]+ 285.12391 161.4
[M+HCOO]- 347.12485 188.9
[M+CH3COO]- 361.14050 208.2
[M+Na-2H]- 323.10132 170.9
[M]+ 302.12610 168.8
[M]- 302.12720 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.