CID 26211

13710-17-3

Structural Information

Molecular Formula

C₁₃H₃₀N₃OPS

SMILES

CCN(CC)C(=S)P(=O)(N(CC)CC)N(CC)CC

InChI

InChI=1S/C13H30N3OPS/c1-7-14(8-2)13(19)18(17,15(9-3)10-4)16(11-5)12-6/h7-12H2,1-6H3

InChIKey

VZXNORSTGWDCRN-UHFFFAOYSA-N

Compound name

1-[bis(diethylamino)phosphoryl]-N,N-diethylmethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 307.18472 Da
Monoisotopic Mass: 2.4
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]+	308.19200	177.1
[M+Na]+	330.17394	179.3
[M-H]-	306.17744	179.4
[M+NH4]+	325.21854	194.1
[M+K]+	346.14788	180.1
[M+H-H2O]+	290.18198	167.0
[M+HCOO]-	352.18292	200.8
[M+CH3COO]-	366.19857	224.5
[M+Na-2H]-	328.15939	172.7
[M]+	307.18417	184.5
[M]-	307.18527	184.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe