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

1
Patents

326.2358 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 182.0
[M+Na]+ 349.22502 188.0
[M-H]- 325.22852 187.0
[M+NH4]+ 344.26962 197.6
[M+K]+ 365.19896 183.1
[M+H-H2O]+ 309.23306 171.8
[M+HCOO]- 371.23400 195.0
[M+CH3COO]- 385.24965 191.2
[M+Na-2H]- 347.21047 184.0
[M]+ 326.23525 180.1
[M]- 326.23635 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