CID 34058875

1197781-33-1

Structural Information

Molecular Formula
C17H18N4
SMILES
C1CN(C2=CC=CC=C21)CCCNC3=C(C=CC=N3)C#N
InChI
InChI=1S/C17H18N4/c18-13-15-6-3-9-19-17(15)20-10-4-11-21-12-8-14-5-1-2-7-16(14)21/h1-3,5-7,9H,4,8,10-12H2,(H,19,20)
InChIKey
QRRVVDQTWGKNFA-UHFFFAOYSA-N
Compound name
2-[3-(2,3-dihydroindol-1-yl)propylamino]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.15314 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.16042 165.6
[M+Na]+ 301.14236 174.4
[M-H]- 277.14586 167.9
[M+NH4]+ 296.18696 179.1
[M+K]+ 317.11630 166.4
[M+H-H2O]+ 261.15040 149.2
[M+HCOO]- 323.15134 182.6
[M+CH3COO]- 337.16699 174.5
[M+Na-2H]- 299.12781 169.6
[M]+ 278.15259 159.4
[M]- 278.15369 159.4
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.