CID 465178

2-[(z)-1,2-benzodithiol-3-ylideneamino]ethyl n-tert-butylcarbamate

Structural Information

Molecular Formula
C14H18N2O2S2
SMILES
CC(C)(C)NC(=O)OCCN=C1C2=CC=CC=C2SS1
InChI
InChI=1S/C14H18N2O2S2/c1-14(2,3)16-13(17)18-9-8-15-12-10-6-4-5-7-11(10)19-20-12/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKey
KEEFAZLTXUVCPB-UHFFFAOYSA-N
Compound name
2-(1,2-benzodithiol-3-ylideneamino)ethyl N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.08096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08824 171.3
[M+Na]+ 333.07018 179.6
[M-H]- 309.07368 177.1
[M+NH4]+ 328.11478 190.2
[M+K]+ 349.04412 175.1
[M+H-H2O]+ 293.07822 165.1
[M+HCOO]- 355.07916 187.0
[M+CH3COO]- 369.09481 206.0
[M+Na-2H]- 331.05563 174.7
[M]+ 310.08041 178.0
[M]- 310.08151 178.0
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.