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]+ 272.175736 162.6
[M+Na]+ 294.157678 169.7
[M-H]- 270.161184 167.0
[M+NH4]+ 289.202283 179.3
[M+K]+ 310.131618 168.8
[M+H-H2O]+ 254.165720 155.0
[M+HCOO]- 316.166661 181.3
[M+CH3COO]- 330.182311 173.5
[M+Na-2H]- 292.143126 166.5
[M]+ 271.16791142 160.5
[M]- 271.16900858 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