CID 3041509

Azepino(3,4-b)indol-1(2h)-one, 3,4,5,10-tetrahydro-10-(2-(dimethylamino)ethyl)-

Structural Information

Molecular Formula
C16H21N3O
SMILES
CN(C)CCN1C2=CC=CC=C2C3=C1C(=O)NCCC3
InChI
InChI=1S/C16H21N3O/c1-18(2)10-11-19-14-8-4-3-6-12(14)13-7-5-9-17-16(20)15(13)19/h3-4,6,8H,5,7,9-11H2,1-2H3,(H,17,20)
InChIKey
VZHPENNHQMHRHP-UHFFFAOYSA-N
Compound name
10-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydroazepino[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.16846 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 161.7
[M+Na]+ 294.15768 171.6
[M+NH4]+ 289.20228 168.9
[M+K]+ 310.13162 168.0
[M-H]- 270.16118 163.4
[M+Na-2H]- 292.14313 165.7
[M]+ 271.16791 163.4
[M]- 271.16901 163.4
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

patents stripe