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]+ 364.154336 186.8
[M+Na]+ 386.136278 197.6
[M-H]- 362.139784 194.6
[M+NH4]+ 381.180883 201.8
[M+K]+ 402.110218 194.8
[M+H-H2O]+ 346.144320 178.4
[M+HCOO]- 408.145261 200.8
[M+CH3COO]- 422.160911 198.0
[M+Na-2H]- 384.121726 190.6
[M]+ 363.14651142 193.7
[M]- 363.14760858 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.