CID 5483183

4177-31-5

Structural Information

Molecular Formula
C13H10N4O4
SMILES
CN1C2=CC=CC=C2NC3=C1C=C(C=C3[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O4/c1-15-10-5-3-2-4-9(10)14-13-11(15)6-8(16(18)19)7-12(13)17(20)21/h2-7,14H,1H3
InChIKey
QGTMHWYBTRQYRV-UHFFFAOYSA-N
Compound name
10-methyl-2,4-dinitro-5H-phenazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.0702 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07748 158.6
[M+Na]+ 309.05942 164.7
[M-H]- 285.06292 160.3
[M+NH4]+ 304.10402 170.6
[M+K]+ 325.03336 152.3
[M+H-H2O]+ 269.06746 159.0
[M+HCOO]- 331.06840 177.0
[M+CH3COO]- 345.08405 190.3
[M+Na-2H]- 307.04487 170.1
[M]+ 286.06965 153.8
[M]- 286.07075 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

No literature data available for this compound.

Patent stripe

patents stripe