CID 4060966

24723-50-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

patents stripe