CID 37812

37683-56-0

Structural Information

Molecular Formula
C21H24N2O
SMILES
CC1=CC2=C(C=C1)N(C3=C2CCOC4=CC=CC=C43)CCN(C)C
InChI
InChI=1S/C21H24N2O/c1-15-8-9-19-18(14-15)16-10-13-24-20-7-5-4-6-17(20)21(16)23(19)12-11-22(2)3/h4-9,14H,10-13H2,1-3H3
InChIKey
GMCMXQVOFGRICB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(9-methyl-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)ethanamine
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 178.2
[M+Na]+ 343.17809 191.2
[M+NH4]+ 338.22269 187.1
[M+K]+ 359.15203 185.5
[M-H]- 319.18159 183.7
[M+Na-2H]- 341.16354 183.1
[M]+ 320.18832 181.9
[M]- 320.18942 181.9
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.