CID 371236

Nsc645294

Structural Information

Molecular Formula
C24H26NO4
SMILES
CC(C)OC1=C(C=C2C3=C(C4=CC(=C(C=C4C=C3)OC)OC)[N+](=CC2=C1)C)OC
InChI
InChI=1S/C24H26NO4/c1-14(2)29-23-10-16-13-25(3)24-17(18(16)11-22(23)28-6)8-7-15-9-20(26-4)21(27-5)12-19(15)24/h7-14H,1-6H3/q+1
InChIKey
ZMYJZDMCXISLFB-UHFFFAOYSA-N
Compound name
2,3,9-trimethoxy-5-methyl-8-propan-2-yloxybenzo[c]phenanthridin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1862 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.19348 200.7
[M+Na]+ 415.17542 210.7
[M-H]- 391.17892 206.6
[M+NH4]+ 410.22002 213.9
[M+K]+ 431.14936 201.2
[M+H-H2O]+ 375.18346 193.0
[M+HCOO]- 437.18440 217.9
[M+CH3COO]- 451.20005 222.1
[M+Na-2H]- 413.16087 206.7
[M]+ 392.18565 209.6
[M]- 392.18675 209.6
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.