CID 3080465

7h-indeno(2,1-c)quinolin-7-one, 3-methoxy-6-(2-thienyl)-

Structural Information

Molecular Formula
C21H13NO2S
SMILES
COC1=CC2=C(C=C1)C3=C(C(=N2)C4=CC=CS4)C(=O)C5=CC=CC=C53
InChI
InChI=1S/C21H13NO2S/c1-24-12-8-9-15-16(11-12)22-20(17-7-4-10-25-17)19-18(15)13-5-2-3-6-14(13)21(19)23/h2-11H,1H3
InChIKey
KYVVFIIUTKXHID-UHFFFAOYSA-N
Compound name
3-methoxy-6-thiophen-2-ylindeno[2,1-c]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0667 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07398 180.2
[M+Na]+ 366.05592 194.0
[M-H]- 342.05942 190.6
[M+NH4]+ 361.10052 200.3
[M+K]+ 382.02986 187.4
[M+H-H2O]+ 326.06396 174.1
[M+HCOO]- 388.06490 199.2
[M+CH3COO]- 402.08055 193.5
[M+Na-2H]- 364.04137 182.4
[M]+ 343.06615 188.6
[M]- 343.06725 188.6
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.