CID 39583

5h-1,3-dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(2-thenoyl)-8-methyl-, monohydrochloride

Structural Information

Molecular Formula
C18H16N2O3S
SMILES
CN1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=CS5)OCO4
InChI
InChI=1S/C18H16N2O3S/c1-19-5-4-13-12(9-19)11-7-15-16(23-10-22-15)8-14(11)20(13)18(21)17-3-2-6-24-17/h2-3,6-8H,4-5,9-10H2,1H3
InChIKey
CYLODTPCSXOWKR-UHFFFAOYSA-N
Compound name
(4-methyl-12,14-dioxa-4,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

340.08817 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09545 174.2
[M+Na]+ 363.07739 187.2
[M+NH4]+ 358.12199 183.5
[M+K]+ 379.05133 184.8
[M-H]- 339.08089 180.2
[M+Na-2H]- 361.06284 176.6
[M]+ 340.08762 178.3
[M]- 340.08872 178.3
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.