CID 3057988

1h-pyrrolo(2,3-b)quinolin-4-one, 2,3,4,9-tetrahydro-9-(3-dimethylaminopropyl)-1-methyl-, dihydrochloride, hydrate

Structural Information

Molecular Formula
C17H23N3O
SMILES
CN1CCC2=C1N(C3=CC=CC=C3C2=O)CCCN(C)C
InChI
InChI=1S/C17H23N3O/c1-18(2)10-6-11-20-15-8-5-4-7-13(15)16(21)14-9-12-19(3)17(14)20/h4-5,7-8H,6,9-12H2,1-3H3
InChIKey
DLOUKQLLJBPTMC-UHFFFAOYSA-N
Compound name
9-[3-(dimethylamino)propyl]-1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 169.0
[M+Na]+ 308.17332 177.7
[M-H]- 284.17682 173.1
[M+NH4]+ 303.21792 186.9
[M+K]+ 324.14726 173.5
[M+H-H2O]+ 268.18136 160.5
[M+HCOO]- 330.18230 189.0
[M+CH3COO]- 344.19795 210.2
[M+Na-2H]- 306.15877 172.1
[M]+ 285.18355 172.3
[M]- 285.18465 172.3
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.