CID 371231

Nsc645289

Structural Information

Molecular Formula
C22H21NO4
SMILES
CCOC1=C(C=C2C=NC3=C(C2=C1)C=CC4=CC(=C(C=C43)OC)OC)OC
InChI
InChI=1S/C22H21NO4/c1-5-27-21-10-16-14(9-19(21)25-3)12-23-22-15(16)7-6-13-8-18(24-2)20(26-4)11-17(13)22/h6-12H,5H2,1-4H3
InChIKey
RSHWJQCEUMDEJZ-UHFFFAOYSA-N
Compound name
9-ethoxy-2,3,8-trimethoxybenzo[c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 187.5
[M+Na]+ 386.13628 198.6
[M-H]- 362.13978 193.2
[M+NH4]+ 381.18088 202.2
[M+K]+ 402.11022 194.2
[M+H-H2O]+ 346.14432 177.3
[M+HCOO]- 408.14526 207.0
[M+CH3COO]- 422.16091 198.8
[M+Na-2H]- 384.12173 194.4
[M]+ 363.14651 197.4
[M]- 363.14761 197.4
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.