CID 37811

Brn 0564821

Structural Information

Molecular Formula
C20H22N2O
SMILES
CN(C)CCN1C2=CC=CC=C2C3=C1C4=CC=CC=C4OCC3
InChI
InChI=1S/C20H22N2O/c1-21(2)12-13-22-18-9-5-3-7-15(18)16-11-14-23-19-10-6-4-8-17(19)20(16)22/h3-10H,11-14H2,1-2H3
InChIKey
PRPQNSWVCYYHLY-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 172.3
[M+Na]+ 329.16244 180.5
[M-H]- 305.16594 180.9
[M+NH4]+ 324.20704 189.4
[M+K]+ 345.13638 179.8
[M+H-H2O]+ 289.17048 165.9
[M+HCOO]- 351.17142 192.4
[M+CH3COO]- 365.18707 184.1
[M+Na-2H]- 327.14789 178.4
[M]+ 306.17267 174.1
[M]- 306.17377 174.1
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

No patent data available for this compound.