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

0
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]+ 341.095446 176.2
[M+Na]+ 363.077388 187.5
[M-H]- 339.080894 186.1
[M+NH4]+ 358.121993 194.1
[M+K]+ 379.051328 185.8
[M+H-H2O]+ 323.085430 172.6
[M+HCOO]- 385.086371 189.5
[M+CH3COO]- 399.102021 188.6
[M+Na-2H]- 361.062836 174.5
[M]+ 340.08762142 182.7
[M]- 340.08871858 182.7
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.