CID 37813

37683-59-3

Structural Information

Molecular Formula
C21H24N2O
SMILES
CN(C)CCCN1C2=CC=CC=C2C3=C1C4=CC=CC=C4OCC3
InChI
InChI=1S/C21H24N2O/c1-22(2)13-7-14-23-19-10-5-3-8-16(19)17-12-15-24-20-11-6-4-9-18(20)21(17)23/h3-6,8-11H,7,12-15H2,1-2H3
InChIKey
IEEGBRXFJYMBKD-UHFFFAOYSA-N
Compound name
3-(6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18887 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 177.0
[M+Na]+ 343.17809 184.7
[M-H]- 319.18159 185.3
[M+NH4]+ 338.22269 193.4
[M+K]+ 359.15203 183.8
[M+H-H2O]+ 303.18613 170.3
[M+HCOO]- 365.18707 196.7
[M+CH3COO]- 379.20272 188.2
[M+Na-2H]- 341.16354 182.5
[M]+ 320.18832 179.0
[M]- 320.18942 179.0
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

No patent data available for this compound.