CID 86289518

5,10-dihydro-9-dimethylallylphenazine 1-carboxylate

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC(=CCC1=C2C(=CC=C1)NC3=CC=CC(=C3N2)C(=O)O)C
InChI
InChI=1S/C18H18N2O2/c1-11(2)9-10-12-5-3-7-14-16(12)20-17-13(18(21)22)6-4-8-15(17)19-14/h3-9,19-20H,10H2,1-2H3,(H,21,22)
InChIKey
FDBMKUZJJZNEBJ-UHFFFAOYSA-N
Compound name
9-(3-methylbut-2-enyl)-5,10-dihydrophenazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

294.13684 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 170.4
[M+Na]+ 317.12606 176.9
[M-H]- 293.12956 168.6
[M+NH4]+ 312.17066 182.9
[M+K]+ 333.10000 169.7
[M+H-H2O]+ 277.13410 162.6
[M+HCOO]- 339.13504 181.5
[M+CH3COO]- 353.15069 178.7
[M+Na-2H]- 315.11151 173.4
[M]+ 294.13629 166.3
[M]- 294.13739 166.3
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