CID 356660

Sanguilutine

Structural Information

Molecular Formula
C23H24NO5
SMILES
C[N+]1=C2C(=C3C(=CC(=C(C3=C1)OC)OC)OC)C=CC4=CC(=C(C=C42)OC)OC
InChI
InChI=1S/C23H24NO5/c1-24-12-16-21(19(27-4)11-20(28-5)23(16)29-6)14-8-7-13-9-17(25-2)18(26-3)10-15(13)22(14)24/h7-12H,1-6H3/q+1
InChIKey
QXVJDCUNQFSDBQ-UHFFFAOYSA-N
Compound name
2,3,7,8,10-pentamethoxy-5-methylbenzo[c]phenanthridin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

40
Patents

394.16544 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17272 199.7
[M+Na]+ 417.15466 211.2
[M-H]- 393.15816 206.2
[M+NH4]+ 412.19926 213.2
[M+K]+ 433.12860 202.1
[M+H-H2O]+ 377.16270 191.9
[M+HCOO]- 439.16364 218.3
[M+CH3COO]- 453.17929 221.8
[M+Na-2H]- 415.14011 206.9
[M]+ 394.16489 210.7
[M]- 394.16599 210.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe