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 185.8
[M+Na]+ 372.21587 192.7
[M-H]- 348.21937 188.9
[M+NH4]+ 367.26047 197.0
[M+K]+ 388.18981 185.5
[M+H-H2O]+ 332.22391 168.4
[M+HCOO]- 394.22485 202.7
[M+CH3COO]- 408.24050 231.5
[M+Na-2H]- 370.20132 187.0
[M]+ 349.22610 181.4
[M]- 349.22720 181.4
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.