CID 12575513

1h-pyrrolo(3,2-c)pyridine-7-carboxamide, 2,3-dihydro-1-benzyl-6-(4-methyl-1-piperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H25N5O
SMILES
CN1CCN(CC1)C2=NC=C3CCN(C3=C2C(=O)N)CC4=CC=CC=C4
InChI
InChI=1S/C20H25N5O/c1-23-9-11-24(12-10-23)20-17(19(21)26)18-16(13-22-20)7-8-25(18)14-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3,(H2,21,26)
InChIKey
SOOHKFFFQCNDMC-UHFFFAOYSA-N
Compound name
1-benzyl-6-(4-methylpiperazin-1-yl)-2,3-dihydropyrrolo[3,2-c]pyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.2059 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21318 187.3
[M+Na]+ 374.19512 192.4
[M-H]- 350.19862 191.3
[M+NH4]+ 369.23972 196.4
[M+K]+ 390.16906 185.9
[M+H-H2O]+ 334.20316 175.3
[M+HCOO]- 396.20410 200.0
[M+CH3COO]- 410.21975 194.7
[M+Na-2H]- 372.18057 186.1
[M]+ 351.20535 181.7
[M]- 351.20645 181.7
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.