CID 24833775

Win 3260

Structural Information

Molecular Formula
C14H22N2O2S
SMILES
CCN(CC)CCSC(=O)C1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C14H22N2O2S/c1-4-16(5-2)8-9-19-14(17)12-7-6-11(15)10-13(12)18-3/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKey
LKGNHWVMMRMQDF-UHFFFAOYSA-N
Compound name
S-[2-(diethylamino)ethyl] 4-amino-2-methoxybenzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1402 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14748 167.0
[M+Na]+ 305.12942 172.3
[M-H]- 281.13292 171.1
[M+NH4]+ 300.17402 183.4
[M+K]+ 321.10336 169.8
[M+H-H2O]+ 265.13746 159.2
[M+HCOO]- 327.13840 185.7
[M+CH3COO]- 341.15405 208.4
[M+Na-2H]- 303.11487 166.0
[M]+ 282.13965 171.6
[M]- 282.14075 171.6
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.