CID 3043849

1h-(1,4)oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((2-piperidino)ethyl)-, hydrobromide

Structural Information

Molecular Formula
C20H28N2O
SMILES
CC1=C2C(OCCN2C3=CC=CC=C13)(C)CCN4CCCCC4
InChI
InChI=1S/C20H28N2O/c1-16-17-8-4-5-9-18(17)22-14-15-23-20(2,19(16)22)10-13-21-11-6-3-7-12-21/h4-5,8-9H,3,6-7,10-15H2,1-2H3
InChIKey
GYNVMMXZHSRQIP-UHFFFAOYSA-N
Compound name
1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

312.22015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22743 177.5
[M+Na]+ 335.20937 184.0
[M-H]- 311.21287 182.7
[M+NH4]+ 330.25397 193.7
[M+K]+ 351.18331 179.3
[M+H-H2O]+ 295.21741 167.5
[M+HCOO]- 357.21835 190.8
[M+CH3COO]- 371.23400 187.1
[M+Na-2H]- 333.19482 180.0
[M]+ 312.21960 175.3
[M]- 312.22070 175.3
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

patents stripe