CID 6434822

64037-49-6

Structural Information

Molecular Formula
C14H22N2S
SMILES
CN(C)C/C=C(/CN(C)C)\SC1=CC=CC=C1
InChI
InChI=1S/C14H22N2S/c1-15(2)11-10-14(12-16(3)4)17-13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3/b14-10-
InChIKey
HSWMXLXOAFVRJE-UVTDQMKNSA-N
Compound name
(Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15038 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15766 160.9
[M+Na]+ 273.13960 165.0
[M-H]- 249.14310 166.5
[M+NH4]+ 268.18420 179.2
[M+K]+ 289.11354 163.3
[M+H-H2O]+ 233.14764 153.0
[M+HCOO]- 295.14858 180.4
[M+CH3COO]- 309.16423 206.2
[M+Na-2H]- 271.12505 161.4
[M]+ 250.14983 164.3
[M]- 250.15093 164.3
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.