CID 27159

Cartap

Structural Information

Molecular Formula
C7H15N3O2S2
SMILES
CN(C)C(CSC(=O)N)CSC(=O)N
InChI
InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)
InChIKey
IRUJZVNXZWPBMU-UHFFFAOYSA-N
Compound name
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

72
References

29302
Patents

237.06056 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06784 152.0
[M+Na]+ 260.04978 155.5
[M+NH4]+ 255.09438 157.8
[M+K]+ 276.02372 150.3
[M-H]- 236.05328 151.1
[M+Na-2H]- 258.03523 151.6
[M]+ 237.06001 152.5
[M]- 237.06111 152.5
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