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 178.2
[M+Na]+ 356.18456 186.4
[M-H]- 332.18806 179.6
[M+NH4]+ 351.22916 186.9
[M+K]+ 372.15850 176.7
[M+H-H2O]+ 316.19260 159.2
[M+HCOO]- 378.19354 187.8
[M+CH3COO]- 392.20919 184.7
[M+Na-2H]- 354.17001 177.9
[M]+ 333.19479 168.6
[M]- 333.19589 168.6
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.