CID 440596

10-hydroxydihydrosanguinarine

Structural Information

Molecular Formula
C20H15NO5
SMILES
CN1CC2=C(C3=C1C4=CC5=C(C=C4C=C3)OCO5)C(=CC6=C2OCO6)O
InChI
InChI=1S/C20H15NO5/c1-21-7-13-18(14(22)6-17-20(13)26-9-25-17)11-3-2-10-4-15-16(24-8-23-15)5-12(10)19(11)21/h2-6,22H,7-9H2,1H3
InChIKey
UYMYPMGPARAZNU-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)-octaen-15-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

349.09503 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10231 173.9
[M+Na]+ 372.08425 184.7
[M-H]- 348.08775 182.8
[M+NH4]+ 367.12885 188.4
[M+K]+ 388.05819 183.7
[M+H-H2O]+ 332.09229 168.6
[M+HCOO]- 394.09323 184.5
[M+CH3COO]- 408.10888 185.4
[M+Na-2H]- 370.06970 178.0
[M]+ 349.09448 179.1
[M]- 349.09558 179.1
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

patents stripe