CID 124069

Dihydrosanguinarine

Structural Information

Molecular Formula
C20H15NO4
SMILES
CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6
InChI
InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3
InChIKey
CIUHLXZTZWTVFL-UHFFFAOYSA-N
Compound name
24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

55
References

432
Patents

333.1001 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10738 170.2
[M+Na]+ 356.08932 180.9
[M-H]- 332.09282 179.9
[M+NH4]+ 351.13392 185.8
[M+K]+ 372.06326 179.8
[M+H-H2O]+ 316.09736 164.4
[M+HCOO]- 378.09830 182.2
[M+CH3COO]- 392.11395 182.2
[M+Na-2H]- 354.07477 174.9
[M]+ 333.09955 175.0
[M]- 333.10065 175.0
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