CID 3044576

Indolo(1,7-ab)(1)benzazepine-1-ethanamine, 6,7-dihydro-n,2-dimethyl-n-(phenylmethyl)-, monohydrochloride

Structural Information

Molecular Formula
C27H28N2
SMILES
CC1=C(N2C3=CC=CC=C3CCC4=C2C1=CC=C4)CCN(C)CC5=CC=CC=C5
InChI
InChI=1S/C27H28N2/c1-20-24-13-8-12-23-16-15-22-11-6-7-14-26(22)29(27(23)24)25(20)17-18-28(2)19-21-9-4-3-5-10-21/h3-14H,15-19H2,1-2H3
InChIKey
WMAUYWSFXOZXBZ-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.22525 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.23253 199.1
[M+Na]+ 403.21447 206.4
[M-H]- 379.21797 208.9
[M+NH4]+ 398.25907 214.4
[M+K]+ 419.18841 202.4
[M+H-H2O]+ 363.22251 191.2
[M+HCOO]- 425.22345 218.6
[M+CH3COO]- 439.23910 208.8
[M+Na-2H]- 401.19992 202.3
[M]+ 380.22470 200.6
[M]- 380.22580 200.6
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.