CID 86226794

Isosalviamine b

Structural Information

Molecular Formula
C20H15NO2
SMILES
CC1=C2C=CC3=C(C2=CC=C1)C4=C(C5=C3OC=C5C)OC(=N4)C
InChI
InChI=1S/C20H15NO2/c1-10-5-4-6-14-13(10)7-8-15-17(14)18-20(23-12(3)21-18)16-11(2)9-22-19(15)16/h4-9H,1-3H3
InChIKey
IVRVVMSJCWUYKG-UHFFFAOYSA-N
Compound name
5,9,17-trimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),4,7(11),9,13,15,17,19-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.1103 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11758 169.3
[M+Na]+ 324.09952 185.7
[M-H]- 300.10302 179.6
[M+NH4]+ 319.14412 189.5
[M+K]+ 340.07346 181.4
[M+H-H2O]+ 284.10756 163.5
[M+HCOO]- 346.10850 191.9
[M+CH3COO]- 360.12415 184.5
[M+Na-2H]- 322.08497 176.1
[M]+ 301.10975 180.6
[M]- 301.11085 180.6
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

No patent data available for this compound.