CID 127833

65162-13-2

Structural Information

Molecular Formula
C14H13N2O
SMILES
C[N+]1=C2C=CC=C(C2=NC3=CC=CC=C31)OC
InChI
InChI=1S/C14H13N2O/c1-16-11-7-4-3-6-10(11)15-14-12(16)8-5-9-13(14)17-2/h3-9H,1-2H3/q+1
InChIKey
NIKBRKQHDZFDIQ-UHFFFAOYSA-N
Compound name
1-methoxy-5-methylphenazin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

2021
Patents

225.10278 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11006 150.5
[M+Na]+ 248.09200 162.0
[M-H]- 224.09550 154.4
[M+NH4]+ 243.13660 168.3
[M+K]+ 264.06594 151.9
[M+H-H2O]+ 208.10004 144.8
[M+HCOO]- 270.10098 171.6
[M+CH3COO]- 284.11663 185.7
[M+Na-2H]- 246.07745 163.3
[M]+ 225.10223 153.4
[M]- 225.10333 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

literature stripe

Patent stripe

patents stripe