CID 362269

Nsc625880

Structural Information

Molecular Formula
C17H14N2O4
SMILES
CC1=CC2=NC3=C(C=CC(=C3N=C2C=C1)C(=O)OC)C(=O)OC
InChI
InChI=1S/C17H14N2O4/c1-9-4-7-12-13(8-9)19-15-11(17(21)23-3)6-5-10(14(15)18-12)16(20)22-2/h4-8H,1-3H3
InChIKey
ZDNKMDSEIJLOBG-UHFFFAOYSA-N
Compound name
dimethyl 7-methylphenazine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.09537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10265 169.7
[M+Na]+ 333.08459 180.6
[M-H]- 309.08809 173.4
[M+NH4]+ 328.12919 184.1
[M+K]+ 349.05853 177.1
[M+H-H2O]+ 293.09263 160.8
[M+HCOO]- 355.09357 188.9
[M+CH3COO]- 369.10922 207.6
[M+Na-2H]- 331.07004 176.0
[M]+ 310.09482 176.7
[M]- 310.09592 176.7
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.