CID 85821358

Dehydroanonaine

Structural Information

Molecular Formula
C17H13NO2
SMILES
C1CNC2=CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
InChI
InChI=1S/C17H13NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,7-8,18H,5-6,9H2
InChIKey
VNNKFCMTGJUPOQ-UHFFFAOYSA-N
Compound name
3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

263.09464 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10192 156.8
[M+Na]+ 286.08386 173.4
[M+NH4]+ 281.12846 168.0
[M+K]+ 302.05780 166.7
[M-H]- 262.08736 163.4
[M+Na-2H]- 284.06931 161.0
[M]+ 263.09409 161.4
[M]- 263.09519 161.4
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