CID 319384

Nsc263524

Structural Information

Molecular Formula
C18H15N3O2
SMILES
C1COC(O1)(C2=CC=NC=C2)C3=C(C4=CC=CC=C4N3)CC#N
InChI
InChI=1S/C18H15N3O2/c19-8-5-15-14-3-1-2-4-16(14)21-17(15)18(22-11-12-23-18)13-6-9-20-10-7-13/h1-4,6-7,9-10,21H,5,11-12H2
InChIKey
QMGUQHMOONDXRJ-UHFFFAOYSA-N
Compound name
2-[2-(2-pyridin-4-yl-1,3-dioxolan-2-yl)-1H-indol-3-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.11642 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 168.4
[M+Na]+ 328.10564 180.3
[M-H]- 304.10914 173.9
[M+NH4]+ 323.15024 181.3
[M+K]+ 344.07958 172.7
[M+H-H2O]+ 288.11368 152.8
[M+HCOO]- 350.11462 183.5
[M+CH3COO]- 364.13027 178.3
[M+Na-2H]- 326.09109 172.0
[M]+ 305.11587 164.0
[M]- 305.11697 164.0
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.