CID 486158

6-ethoxy-5,6-dihydronitidine

Structural Information

Molecular Formula
C23H23NO5
SMILES
CCOC1C2=CC(=C(C=C2C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5)OC)OC
InChI
InChI=1S/C23H23NO5/c1-5-27-23-17-11-19(26-4)18(25-3)10-16(17)14-7-6-13-8-20-21(29-12-28-20)9-15(13)22(14)24(23)2/h6-11,23H,5,12H2,1-4H3
InChIKey
RTNPXMQITIZUFU-UHFFFAOYSA-N
Compound name
13-ethoxy-2,3-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.15762 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16490 194.1
[M+Na]+ 416.14684 204.0
[M-H]- 392.15034 201.6
[M+NH4]+ 411.19144 207.6
[M+K]+ 432.12078 201.9
[M+H-H2O]+ 376.15488 185.3
[M+HCOO]- 438.15582 207.7
[M+CH3COO]- 452.17147 204.5
[M+Na-2H]- 414.13229 197.5
[M]+ 393.15707 202.6
[M]- 393.15817 202.6
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

No patent data available for this compound.