CID 3632877

24008-82-0

Structural Information

Molecular Formula
C22H23N3O4
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CO)N
InChI
InChI=1S/C22H23N3O4/c23-19(13-26)21(28)25-20(11-14-5-9-18(27)10-6-14)22(29)24-17-8-7-15-3-1-2-4-16(15)12-17/h1-10,12,19-20,26-27H,11,13,23H2,(H,24,29)(H,25,28)
InChIKey
MAQKGNBGUVFWNR-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)-N-naphthalen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

393.16885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.17613 191.2
[M+Na]+ 416.15807 192.7
[M-H]- 392.16157 194.7
[M+NH4]+ 411.20267 199.8
[M+K]+ 432.13201 189.0
[M+H-H2O]+ 376.16611 182.2
[M+HCOO]- 438.16705 209.0
[M+CH3COO]- 452.18270 225.9
[M+Na-2H]- 414.14352 192.2
[M]+ 393.16830 187.6
[M]- 393.16940 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.