CID 3069082

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

Structural Information

Molecular Formula
C17H23N3O
SMILES
CN(C)CCCN1C2=CC=CC=C2C3=C1C(=O)NCCC3
InChI
InChI=1S/C17H23N3O/c1-19(2)11-6-12-20-15-9-4-3-7-13(15)14-8-5-10-18-17(21)16(14)20/h3-4,7,9H,5-6,8,10-12H2,1-2H3,(H,18,21)
InChIKey
DNNPBMOUDGYWJF-UHFFFAOYSA-N
Compound name
10-[3-(dimethylamino)propyl]-2,3,4,5-tetrahydroazepino[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 167.1
[M+Na]+ 308.17332 173.7
[M-H]- 284.17682 171.2
[M+NH4]+ 303.21792 183.2
[M+K]+ 324.14726 172.6
[M+H-H2O]+ 268.18136 159.3
[M+HCOO]- 330.18230 185.4
[M+CH3COO]- 344.19795 177.5
[M+Na-2H]- 306.15877 170.4
[M]+ 285.18355 165.3
[M]- 285.18465 165.3
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.