CID 371232

Nsc645290

Structural Information

Molecular Formula
C23H23NO4
SMILES
CC(C)OC1=C(C=C2C=CC3=C(C2=C1)N=CC4=CC(=C(C=C34)OC)OC)OC
InChI
InChI=1S/C23H23NO4/c1-13(2)28-22-11-18-14(8-20(22)26-4)6-7-16-17-10-21(27-5)19(25-3)9-15(17)12-24-23(16)18/h6-13H,1-5H3
InChIKey
XDWVWFXJKQCGIC-UHFFFAOYSA-N
Compound name
2,8,9-trimethoxy-3-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]+ 378.169996 192.1
[M+Na]+ 400.151938 202.3
[M-H]- 376.155444 197.6
[M+NH4]+ 395.196543 206.1
[M+K]+ 416.125878 198.3
[M+H-H2O]+ 360.159980 181.9
[M+HCOO]- 422.160921 210.2
[M+CH3COO]- 436.176571 224.7
[M+Na-2H]- 398.137386 197.3
[M]+ 377.16217142 201.6
[M]- 377.16326858 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.