CID 7021433

201988-63-8

Structural Information

Molecular Formula
C26H22N2O3
SMILES
C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C26H22N2O3/c29-23-14-10-18(11-15-23)16-24(28-25(30)20-7-2-1-3-8-20)26(31)27-22-13-12-19-6-4-5-9-21(19)17-22/h1-15,17,24,29H,16H2,(H,27,31)(H,28,30)/t24-/m0/s1
InChIKey
NKRNJRQKVLUQKQ-DEOSSOPVSA-N
Compound name
N-[(2S)-3-(4-hydroxyphenyl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.16306 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17034 197.3
[M+Na]+ 433.15228 199.9
[M-H]- 409.15578 205.3
[M+NH4]+ 428.19688 205.9
[M+K]+ 449.12622 194.3
[M+H-H2O]+ 393.16032 186.7
[M+HCOO]- 455.16126 216.7
[M+CH3COO]- 469.17691 204.8
[M+Na-2H]- 431.13773 200.5
[M]+ 410.16251 194.7
[M]- 410.16361 194.7
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.