CID 41384

Carbosulfan

Structural Information

Molecular Formula
C20H32N2O3S
SMILES
CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3
InChIKey
JLQUFIHWVLZVTJ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

156
References

44240
Patents

380.21338 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.22066 195.0
[M+Na]+ 403.20260 199.1
[M-H]- 379.20610 201.6
[M+NH4]+ 398.24720 211.8
[M+K]+ 419.17654 198.9
[M+H-H2O]+ 363.21064 188.2
[M+HCOO]- 425.21158 211.6
[M+CH3COO]- 439.22723 228.7
[M+Na-2H]- 401.18805 194.4
[M]+ 380.21283 204.7
[M]- 380.21393 204.7
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