CID 3047638

63867-50-5

Structural Information

Molecular Formula
C21H31N3O
SMILES
CC1=C2C(OCCN2C3=CC=CC=C13)(C)CC(C)N4CCN(CC4)C
InChI
InChI=1S/C21H31N3O/c1-16(23-11-9-22(4)10-12-23)15-21(3)20-17(2)18-7-5-6-8-19(18)24(20)13-14-25-21/h5-8,16H,9-15H2,1-4H3
InChIKey
XQCDGTOPBUUJHZ-UHFFFAOYSA-N
Compound name
1,10-dimethyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-[1,4]oxazino[4,3-a]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.2467 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.25398 187.3
[M+Na]+ 364.23592 193.8
[M-H]- 340.23942 191.3
[M+NH4]+ 359.28052 201.1
[M+K]+ 380.20986 189.3
[M+H-H2O]+ 324.24396 176.7
[M+HCOO]- 386.24490 197.8
[M+CH3COO]- 400.26055 195.8
[M+Na-2H]- 362.22137 187.3
[M]+ 341.24615 185.7
[M]- 341.24725 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.