CID 16213044

340168-99-2

Structural Information

Molecular Formula
C24H23NO3
SMILES
C[C@@H](C1=CC=CC=C1)N([C@@H](C)C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C24H23NO3/c1-17(19-11-5-3-6-12-19)25(18(2)20-13-7-4-8-14-20)23(26)21-15-9-10-16-22(21)24(27)28/h3-18H,1-2H3,(H,27,28)/t17-,18-/m0/s1
InChIKey
NCYIVOVUPRJYNJ-ROUUACIJSA-N
Compound name
2-[bis[(1S)-1-phenylethyl]carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

373.1678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17508 190.8
[M+Na]+ 396.15702 192.9
[M-H]- 372.16052 199.4
[M+NH4]+ 391.20162 200.8
[M+K]+ 412.13096 189.8
[M+H-H2O]+ 356.16506 180.8
[M+HCOO]- 418.16600 209.8
[M+CH3COO]- 432.18165 222.2
[M+Na-2H]- 394.14247 189.8
[M]+ 373.16725 189.9
[M]- 373.16835 189.9
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

patents stripe