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]+ 283.147476 167.0
[M+Na]+ 305.129418 172.3
[M-H]- 281.132924 171.1
[M+NH4]+ 300.174023 183.4
[M+K]+ 321.103358 169.8
[M+H-H2O]+ 265.137460 159.2
[M+HCOO]- 327.138401 185.7
[M+CH3COO]- 341.154051 208.4
[M+Na-2H]- 303.114866 166.0
[M]+ 282.13965142 171.6
[M]- 282.14074858 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.