CID 371234

Nsc645293

Structural Information

Molecular Formula
C23H23NO4
SMILES
CC(C)OC1=C(C=C2C3=C(C4=CC(=C(C=C4C=C3)OC)OC)N=CC2=C1)OC
InChI
InChI=1S/C23H23NO4/c1-13(2)28-22-9-15-12-24-23-16(17(15)10-21(22)27-5)7-6-14-8-19(25-3)20(26-4)11-18(14)23/h6-13H,1-5H3
InChIKey
QRVXBBVLFBVRQB-UHFFFAOYSA-N
Compound name
2,3,9-trimethoxy-8-propan-2-yloxybenzo[c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 192.1
[M+Na]+ 400.15194 202.3
[M-H]- 376.15544 197.6
[M+NH4]+ 395.19654 206.1
[M+K]+ 416.12588 198.3
[M+H-H2O]+ 360.15998 181.9
[M+HCOO]- 422.16092 210.2
[M+CH3COO]- 436.17657 224.7
[M+Na-2H]- 398.13739 197.3
[M]+ 377.16217 201.6
[M]- 377.16327 201.6
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.