CID 3043833

56220-80-5

Structural Information

Molecular Formula
C18H26N2O
SMILES
CC1=C2C(OCCN2C3=CC=CC=C13)(C)CCCN(C)C
InChI
InChI=1S/C18H26N2O/c1-14-15-8-5-6-9-16(15)20-12-13-21-18(2,17(14)20)10-7-11-19(3)4/h5-6,8-9H,7,10-13H2,1-4H3
InChIKey
NOJNFBUPYOSGTM-UHFFFAOYSA-N
Compound name
3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

286.2045 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 169.7
[M+Na]+ 309.19372 178.0
[M-H]- 285.19722 175.6
[M+NH4]+ 304.23832 189.6
[M+K]+ 325.16766 175.4
[M+H-H2O]+ 269.20176 162.1
[M+HCOO]- 331.20270 189.6
[M+CH3COO]- 345.21835 209.6
[M+Na-2H]- 307.17917 174.6
[M]+ 286.20395 174.0
[M]- 286.20505 174.0
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