CID 371246

Nsc645303

Structural Information

Molecular Formula
C19H15NO2
SMILES
COC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC=CC=C34)OC
InChI
InChI=1S/C19H15NO2/c1-21-17-9-12-7-8-15-14-6-4-3-5-13(14)11-20-19(15)16(12)10-18(17)22-2/h3-11H,1-2H3
InChIKey
HDKHMMXHQADIIP-UHFFFAOYSA-N
Compound name
2,3-dimethoxybenzo[c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1103 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11758 165.9
[M+Na]+ 312.09952 177.3
[M-H]- 288.10302 171.6
[M+NH4]+ 307.14412 183.4
[M+K]+ 328.07346 171.6
[M+H-H2O]+ 272.10756 156.6
[M+HCOO]- 334.10850 186.5
[M+CH3COO]- 348.12415 178.4
[M+Na-2H]- 310.08497 175.8
[M]+ 289.10975 171.3
[M]- 289.11085 171.3
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

No patent data available for this compound.