CID 97679

Norsanguinarine

Structural Information

Molecular Formula
C19H11NO4
SMILES
C1OC2=C(O1)C3=CN=C4C(=C3C=C2)C=CC5=CC6=C(C=C54)OCO6
InChI
InChI=1S/C19H11NO4/c1-2-12-11-3-4-15-19(24-9-21-15)14(11)7-20-18(12)13-6-17-16(5-10(1)13)22-8-23-17/h1-7H,8-9H2
InChIKey
CNXVDVMAYXLWPD-UHFFFAOYSA-N
Compound name
5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

54
Patents

317.06882 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07610 162.6
[M+Na]+ 340.05804 174.9
[M-H]- 316.06154 173.0
[M+NH4]+ 335.10264 178.8
[M+K]+ 356.03198 174.0
[M+H-H2O]+ 300.06608 156.8
[M+HCOO]- 362.06702 177.9
[M+CH3COO]- 376.08267 175.9
[M+Na-2H]- 338.04349 170.4
[M]+ 317.06827 169.6
[M]- 317.06937 169.6
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