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]+ 326.095776 168.6
[M+Na]+ 348.077718 176.1
[M-H]- 324.081224 175.6
[M+NH4]+ 343.122323 184.2
[M+K]+ 364.051658 166.0
[M+H-H2O]+ 308.085760 165.3
[M+HCOO]- 370.086701 185.8
[M+CH3COO]- 384.102351 203.4
[M+Na-2H]- 346.063166 174.1
[M]+ 325.08795142 166.9
[M]- 325.08904858 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.