CID 317785

Yh7c3g1yzf

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
COC1=C(C=C2C(=C1)CCC3=C2N=C(S3)NCC=C)OC
InChI
InChI=1S/C16H18N2O2S/c1-4-7-17-16-18-15-11-9-13(20-3)12(19-2)8-10(11)5-6-14(15)21-16/h4,8-9H,1,5-7H2,2-3H3,(H,17,18)
InChIKey
KDMVTUHUGNKVBU-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-N-prop-2-enyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.1089 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11618 167.6
[M+Na]+ 325.09812 176.9
[M-H]- 301.10162 171.9
[M+NH4]+ 320.14272 186.3
[M+K]+ 341.07206 171.9
[M+H-H2O]+ 285.10616 161.1
[M+HCOO]- 347.10710 184.1
[M+CH3COO]- 361.12275 206.7
[M+Na-2H]- 323.08357 170.2
[M]+ 302.10835 173.0
[M]- 302.10945 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.