CID 24844698

102584-05-4

Structural Information

Molecular Formula
C15H13N2O
SMILES
C1=CC=[N+](C=C1)CC(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C15H12N2O/c18-15(11-17-8-4-1-5-9-17)14-10-12-6-2-3-7-13(12)16-14/h1-10H,11H2/p+1
InChIKey
OQIIQTWCXBQHHH-UHFFFAOYSA-O
Compound name
1-(1H-indol-2-yl)-2-pyridin-1-ium-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10278 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11006 154.7
[M+Na]+ 260.09200 163.3
[M-H]- 236.09550 159.0
[M+NH4]+ 255.13660 171.1
[M+K]+ 276.06594 152.2
[M+H-H2O]+ 220.10004 148.9
[M+HCOO]- 282.10098 175.6
[M+CH3COO]- 296.11663 181.6
[M+Na-2H]- 258.07745 163.3
[M]+ 237.10223 153.4
[M]- 237.10333 153.4
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.