CID 3058311

1h-pyrrolo(3,2-c)pyridine-7-carbonitrile, 2,3-dihydro-1-benzyl-6-((2-(diethylamino)ethyl)amino)-, dihydrochloride

Structural Information

Molecular Formula
C21H27N5
SMILES
CCN(CC)CCNC1=NC=C2CCN(C2=C1C#N)CC3=CC=CC=C3
InChI
InChI=1S/C21H27N5/c1-3-25(4-2)13-11-23-21-19(14-22)20-18(15-24-21)10-12-26(20)16-17-8-6-5-7-9-17/h5-9,15H,3-4,10-13,16H2,1-2H3,(H,23,24)
InChIKey
WNRADXAJOZJGIW-UHFFFAOYSA-N
Compound name
1-benzyl-6-[2-(diethylamino)ethylamino]-2,3-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.22665 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.23393 190.9
[M+Na]+ 372.21587 201.8
[M+NH4]+ 367.26047 194.8
[M+K]+ 388.18981 191.7
[M-H]- 348.21937 187.8
[M+Na-2H]- 370.20132 193.9
[M]+ 349.22610 190.7
[M]- 349.22720 190.7
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.