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 162.6
[M+Na]+ 294.15768 169.7
[M-H]- 270.16118 167.0
[M+NH4]+ 289.20228 179.3
[M+K]+ 310.13162 168.8
[M+H-H2O]+ 254.16572 155.0
[M+HCOO]- 316.16666 181.3
[M+CH3COO]- 330.18231 173.5
[M+Na-2H]- 292.14313 166.5
[M]+ 271.16791 160.5
[M]- 271.16901 160.5
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