CID 726823

11-(1-pyrrolidinyl)-2,3-dihydro-1h-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile

Structural Information

Molecular Formula
C19H18N4
SMILES
C1CCN(C1)C2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N
InChI
InChI=1S/C19H18N4/c20-12-15-13-6-5-7-14(13)19(22-10-3-4-11-22)23-17-9-2-1-8-16(17)21-18(15)23/h1-2,8-9H,3-7,10-11H2
InChIKey
YKFIULHTZCHFJH-UHFFFAOYSA-N
Compound name
16-pyrrolidin-1-yl-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

302.15314 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16042 171.4
[M+Na]+ 325.14236 183.8
[M-H]- 301.14586 175.1
[M+NH4]+ 320.18696 188.3
[M+K]+ 341.11630 172.4
[M+H-H2O]+ 285.15040 155.8
[M+HCOO]- 347.15134 185.4
[M+CH3COO]- 361.16699 180.8
[M+Na-2H]- 323.12781 170.4
[M]+ 302.15259 165.9
[M]- 302.15369 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.