CID 85249564

N-methoxycarbonylanonaine

Structural Information

Molecular Formula
C19H17NO4
SMILES
COC(=O)N1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3
InChI
InChI=1S/C19H17NO4/c1-22-19(21)20-7-6-12-9-15-18(24-10-23-15)17-13-5-3-2-4-11(13)8-14(20)16(12)17/h2-5,9,14H,6-8,10H2,1H3
InChIKey
XBZPCDCYDZGHSV-UHFFFAOYSA-N
Compound name
methyl 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 173.1
[M+Na]+ 346.10497 187.0
[M+NH4]+ 341.14957 182.6
[M+K]+ 362.07891 182.0
[M-H]- 322.10847 178.4
[M+Na-2H]- 344.09042 174.1
[M]+ 323.11520 176.7
[M]- 323.11630 176.7
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

No patent data available for this compound.