CID 3080468

7h-indeno(2,1-c)quinoline, 2-methoxy-6-(2-thienyl)-

Structural Information

Molecular Formula
C21H15NOS
SMILES
COC1=CC2=C(C=C1)N=C(C3=C2C4=CC=CC=C4C3)C5=CC=CS5
InChI
InChI=1S/C21H15NOS/c1-23-14-8-9-18-16(12-14)20-15-6-3-2-5-13(15)11-17(20)21(22-18)19-7-4-10-24-19/h2-10,12H,11H2,1H3
InChIKey
XINMWPWMLLQEOT-UHFFFAOYSA-N
Compound name
2-methoxy-6-thiophen-2-yl-7H-indeno[2,1-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.08743 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09471 176.6
[M+Na]+ 352.07665 189.7
[M-H]- 328.08015 186.6
[M+NH4]+ 347.12125 197.2
[M+K]+ 368.05059 182.9
[M+H-H2O]+ 312.08469 170.3
[M+HCOO]- 374.08563 195.4
[M+CH3COO]- 388.10128 189.8
[M+Na-2H]- 350.06210 179.3
[M]+ 329.08688 183.9
[M]- 329.08798 183.9
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.