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: 35371
Patents: 237.06056 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.067836	152.0
[M+Na]+	260.049778	155.2
[M-H]-	236.053284	151.4
[M+NH4]+	255.094383	168.5
[M+K]+	276.023718	153.0
[M+H-H2O]+	220.057820	144.4
[M+HCOO]-	282.058761	162.9
[M+CH3COO]-	296.074411	199.0
[M+Na-2H]-	258.035226	148.5
[M]+	237.06001142	152.0
[M]-	237.06110858	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe