CID 671377

2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine

Structural Information

Molecular Formula
C17H15N3O2S
SMILES
C1CCC2=NC3=C(C=C2C1)C(=C(S3)C4=CC=C(C=C4)[N+](=O)[O-])N
InChI
InChI=1S/C17H15N3O2S/c18-15-13-9-11-3-1-2-4-14(11)19-17(13)23-16(15)10-5-7-12(8-6-10)20(21)22/h5-9H,1-4,18H2
InChIKey
IHYZFJACNBFRBN-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.0885 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09578 168.6
[M+Na]+ 348.07772 176.1
[M-H]- 324.08122 175.6
[M+NH4]+ 343.12232 184.2
[M+K]+ 364.05166 166.0
[M+H-H2O]+ 308.08576 165.3
[M+HCOO]- 370.08670 185.8
[M+CH3COO]- 384.10235 203.4
[M+Na-2H]- 346.06317 174.1
[M]+ 325.08795 166.9
[M]- 325.08905 166.9
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.