CID 129318514

940306-33-2

Structural Information

Molecular Formula
C20H24N2O4S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NCC3N[C@H](C(S3)(C)C)C(=O)O
InChI
InChI=1S/C20H24N2O4S/c1-4-26-14-10-9-12-7-5-6-8-13(12)16(14)18(23)21-11-15-22-17(19(24)25)20(2,3)27-15/h5-10,15,17,22H,4,11H2,1-3H3,(H,21,23)(H,24,25)/t15?,17-/m0/s1
InChIKey
WHHZZRUECRWKAX-LWKPJOBUSA-N
Compound name
(4S)-2-[[(2-ethoxynaphthalene-1-carbonyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1457 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15298 190.2
[M+Na]+ 411.13492 195.7
[M-H]- 387.13842 193.4
[M+NH4]+ 406.17952 204.0
[M+K]+ 427.10886 190.7
[M+H-H2O]+ 371.14296 183.8
[M+HCOO]- 433.14390 201.0
[M+CH3COO]- 447.15955 216.8
[M+Na-2H]- 409.12037 188.7
[M]+ 388.14515 192.0
[M]- 388.14625 192.0
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.