CID 3073488

149338-21-6

Structural Information

Molecular Formula
C14H16ClN3O3S
SMILES
C1COCCN1CCNC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H16ClN3O3S/c15-10-1-2-12-11(9-10)13(14(22-12)18(19)20)16-3-4-17-5-7-21-8-6-17/h1-2,9,16H,3-8H2
InChIKey
WANNKAWYMJHVQQ-UHFFFAOYSA-N
Compound name
5-chloro-N-(2-morpholin-4-ylethyl)-2-nitro-1-benzothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0601 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06738 173.7
[M+Na]+ 364.04932 179.7
[M-H]- 340.05282 180.1
[M+NH4]+ 359.09392 187.3
[M+K]+ 380.02326 171.4
[M+H-H2O]+ 324.05736 171.3
[M+HCOO]- 386.05830 186.0
[M+CH3COO]- 400.07395 202.3
[M+Na-2H]- 362.03477 178.2
[M]+ 341.05955 175.0
[M]- 341.06065 175.0
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.