CID 465368

Ywolrhmxkmqsky-uhfffaoysa-n

Structural Information

Molecular Formula
C24H34N4O2S2
SMILES
CN(C)CCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCN(C)C
InChI
InChI=1S/C24H34N4O2S2/c1-27(2)17-9-15-25-23(29)19-11-5-7-13-21(19)31-32-22-14-8-6-12-20(22)24(30)26-16-10-18-28(3)4/h5-8,11-14H,9-10,15-18H2,1-4H3,(H,25,29)(H,26,30)
InChIKey
YWOLRHMXKMQSKY-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2-[[2-[3-(dimethylamino)propylcarbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

474.2123 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.21958 214.1
[M+Na]+ 497.20152 214.2
[M-H]- 473.20502 220.5
[M+NH4]+ 492.24612 222.0
[M+K]+ 513.17546 209.1
[M+H-H2O]+ 457.20956 203.0
[M+HCOO]- 519.21050 227.1
[M+CH3COO]- 533.22615 250.3
[M+Na-2H]- 495.18697 211.7
[M]+ 474.21175 219.5
[M]- 474.21285 219.5
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.