CID 50986168

5-methylphenazine-1-carboxylate

Structural Information

Molecular Formula
C14H11N2O2
SMILES
C[N+]1=C2C=CC=C(C2=NC3=CC=CC=C31)C(=O)O
InChI
InChI=1S/C14H10N2O2/c1-16-11-7-3-2-6-10(11)15-13-9(14(17)18)5-4-8-12(13)16/h2-8H,1H3/p+1
InChIKey
WBQUROCKWAJPFB-UHFFFAOYSA-O
Compound name
5-methylphenazin-5-ium-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

9
Patents

239.08205 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08933 152.6
[M+Na]+ 262.07127 163.5
[M-H]- 238.07477 155.3
[M+NH4]+ 257.11587 168.9
[M+K]+ 278.04521 153.0
[M+H-H2O]+ 222.07931 147.3
[M+HCOO]- 284.08025 171.5
[M+CH3COO]- 298.09590 185.0
[M+Na-2H]- 260.05672 164.1
[M]+ 239.08150 153.8
[M]- 239.08260 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.