CID 3058309

Brn 5151255

Structural Information

Molecular Formula
C20H23N5
SMILES
CN1CCN(CC1)C2=NC=C3CCN(C3=C2C#N)CC4=CC=CC=C4
InChI
InChI=1S/C20H23N5/c1-23-9-11-24(12-10-23)20-18(13-21)19-17(14-22-20)7-8-25(19)15-16-5-3-2-4-6-16/h2-6,14H,7-12,15H2,1H3
InChIKey
ABSNOEAXXXQIOL-UHFFFAOYSA-N
Compound name
1-benzyl-6-(4-methylpiperazin-1-yl)-2,3-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.19534 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20262 186.9
[M+Na]+ 356.18456 200.3
[M+NH4]+ 351.22916 191.1
[M+K]+ 372.15850 190.0
[M-H]- 332.18806 183.8
[M+Na-2H]- 354.17001 190.6
[M]+ 333.19479 187.1
[M]- 333.19589 187.1
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.