CID 11076

Syntaverin

Structural Information

Molecular Formula
C19H15NO4
SMILES
CC1=CC2=CC3=C(C=C2C(=N1)CC4=CC5=C(C=C4)OCO5)OCO3
InChI
InChI=1S/C19H15NO4/c1-11-4-13-7-18-19(24-10-23-18)8-14(13)15(20-11)5-12-2-3-16-17(6-12)22-9-21-16/h2-4,6-8H,5,9-10H2,1H3
InChIKey
LLEBCPBJQVCNAD-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-ylmethyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1001 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10738 170.8
[M+Na]+ 344.08932 181.1
[M-H]- 320.09282 182.0
[M+NH4]+ 339.13392 184.9
[M+K]+ 360.06326 180.9
[M+H-H2O]+ 304.09736 165.1
[M+HCOO]- 366.09830 186.8
[M+CH3COO]- 380.11395 183.4
[M+Na-2H]- 342.07477 175.3
[M]+ 321.09955 176.6
[M]- 321.10065 176.6
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

patents stripe