CID 5114536

56795-92-7

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1=CC=C(C=C1)COC2=NC=C3C(=C2)C(=CN3)C=O
InChI
InChI=1S/C15H12N2O2/c18-9-12-7-16-14-8-17-15(6-13(12)14)19-10-11-4-2-1-3-5-11/h1-9,16H,10H2
InChIKey
OZWLZROTVDCROC-UHFFFAOYSA-N
Compound name
5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

252.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 154.8
[M+Na]+ 275.07909 165.0
[M-H]- 251.08259 159.2
[M+NH4]+ 270.12369 171.3
[M+K]+ 291.05303 159.3
[M+H-H2O]+ 235.08713 146.3
[M+HCOO]- 297.08807 177.4
[M+CH3COO]- 311.10372 167.4
[M+Na-2H]- 273.06454 161.8
[M]+ 252.08932 157.3
[M]- 252.09042 157.3
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

patents stripe