CID 39579

6,7,8,9-tetrahydro-5-(p-toluoyl)-8-methyl-5h-1,3-dioxolo(4,5-f)pyrido(4,3-b)indole hcl

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CC1=CC=C(C=C1)C(=O)N2C3=C(CN(CC3)C)C4=CC5=C(C=C42)OCO5
InChI
InChI=1S/C21H20N2O3/c1-13-3-5-14(6-4-13)21(24)23-17-7-8-22(2)11-16(17)15-9-19-20(10-18(15)23)26-12-25-19/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKey
SXRIJXOZGNRPCY-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)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1474 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15468 182.3
[M+Na]+ 371.13662 192.0
[M-H]- 347.14012 191.1
[M+NH4]+ 366.18122 196.8
[M+K]+ 387.11056 188.7
[M+H-H2O]+ 331.14466 174.6
[M+HCOO]- 393.14560 197.2
[M+CH3COO]- 407.16125 193.4
[M+Na-2H]- 369.12207 182.8
[M]+ 348.14685 185.7
[M]- 348.14795 185.7
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.