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 177.5
[M+Na]+ 343.17809 186.1
[M-H]- 319.18159 186.3
[M+NH4]+ 338.22269 194.3
[M+K]+ 359.15203 185.4
[M+H-H2O]+ 303.18613 171.1
[M+HCOO]- 365.18707 197.2
[M+CH3COO]- 379.20272 189.1
[M+Na-2H]- 341.16354 182.4
[M]+ 320.18832 180.0
[M]- 320.18942 180.0
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.