CID 457498

78010-27-2

Structural Information

Molecular Formula
C24H32N2O4S2
SMILES
CCOCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOCC
InChI
InChI=1S/C24H32N2O4S2/c1-3-29-17-9-15-25-23(27)19-11-5-7-13-21(19)31-32-22-14-8-6-12-20(22)24(28)26-16-10-18-30-4-2/h5-8,11-14H,3-4,9-10,15-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKey
OZTSOQTUKOMLCS-UHFFFAOYSA-N
Compound name
N-(3-ethoxypropyl)-2-[[2-(3-ethoxypropylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

476.18036 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.18764 212.2
[M+Na]+ 499.16958 213.4
[M-H]- 475.17308 216.0
[M+NH4]+ 494.21418 219.4
[M+K]+ 515.14352 206.7
[M+H-H2O]+ 459.17762 201.9
[M+HCOO]- 521.17856 223.2
[M+CH3COO]- 535.19421 238.0
[M+Na-2H]- 497.15503 209.9
[M]+ 476.17981 219.3
[M]- 476.18091 219.3
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