CID 101673184

12,13-dihydro-1,2-dimethoxy-12,13-dimethyl[1,3]benzodioxolo[5,6-c]phenanthridine

Structural Information

Molecular Formula
C22H21NO4
SMILES
CC1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5
InChI
InChI=1S/C22H21NO4/c1-12-20-14(7-8-17(24-3)22(20)25-4)15-6-5-13-9-18-19(27-11-26-18)10-16(13)21(15)23(12)2/h5-10,12H,11H2,1-4H3
InChIKey
NDRJOHZGHCUTCQ-UHFFFAOYSA-N
Compound name
1,2-dimethoxy-12,13-dimethyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 186.8
[M+Na]+ 386.13628 197.6
[M-H]- 362.13978 194.6
[M+NH4]+ 381.18088 201.8
[M+K]+ 402.11022 194.8
[M+H-H2O]+ 346.14432 178.4
[M+HCOO]- 408.14526 200.8
[M+CH3COO]- 422.16091 198.0
[M+Na-2H]- 384.12173 190.6
[M]+ 363.14651 193.7
[M]- 363.14761 193.7
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.