CID 392287

Nsc692421

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1COC(O1)(C2=CC=CC=N2)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C16H14N2O2/c1-2-6-13-12(5-1)11-15(18-13)16(19-9-10-20-16)14-7-3-4-8-17-14/h1-8,11,18H,9-10H2
InChIKey
COWYISPVZDAVOO-UHFFFAOYSA-N
Compound name
2-(2-pyridin-2-yl-1,3-dioxolan-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 156.2
[M+Na]+ 289.09475 165.4
[M-H]- 265.09825 164.9
[M+NH4]+ 284.13935 172.7
[M+K]+ 305.06869 162.5
[M+H-H2O]+ 249.10279 148.3
[M+HCOO]- 311.10373 175.8
[M+CH3COO]- 325.11938 168.9
[M+Na-2H]- 287.08020 162.3
[M]+ 266.10498 156.5
[M]- 266.10608 156.5
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.