CID 3043855

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

Structural Information

Molecular Formula
C21H30N2O
SMILES
CC1=C2C(OCCN2C3=CC=CC=C13)(C)CCCN4CCCCC4
InChI
InChI=1S/C21H30N2O/c1-17-18-9-4-5-10-19(18)23-15-16-24-21(2,20(17)23)11-8-14-22-12-6-3-7-13-22/h4-5,9-10H,3,6-8,11-16H2,1-2H3
InChIKey
GZCXYFTWJFEPIM-UHFFFAOYSA-N
Compound name
1,10-dimethyl-1-(3-piperidin-1-ylpropyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.2358 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.243076 182.0
[M+Na]+ 349.225018 188.0
[M-H]- 325.228524 187.0
[M+NH4]+ 344.269623 197.6
[M+K]+ 365.198958 183.1
[M+H-H2O]+ 309.233060 171.8
[M+HCOO]- 371.234001 195.0
[M+CH3COO]- 385.249651 191.2
[M+Na-2H]- 347.210466 184.0
[M]+ 326.23525142 180.1
[M]- 326.23634858 180.1
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