CID 371248

Nsc645307

Structural Information

Molecular Formula
C26H21NO3
SMILES
COC1=C(C=C2C3=C(C4=C(C=CC(=C4)OCC5=CC=CC=C5)C=C3)N=CC2=C1)OC
InChI
InChI=1S/C26H21NO3/c1-28-24-12-19-15-27-26-21(22(19)14-25(24)29-2)11-9-18-8-10-20(13-23(18)26)30-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3
InChIKey
HVWZGTCNNAXXNY-UHFFFAOYSA-N
Compound name
8,9-dimethoxy-3-phenylmethoxybenzo[c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.15213 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15941 197.7
[M+Na]+ 418.14135 207.3
[M-H]- 394.14485 205.7
[M+NH4]+ 413.18595 209.9
[M+K]+ 434.11529 200.8
[M+H-H2O]+ 378.14939 185.4
[M+HCOO]- 440.15033 216.6
[M+CH3COO]- 454.16598 207.6
[M+Na-2H]- 416.12680 205.0
[M]+ 395.15158 203.8
[M]- 395.15268 203.8
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.