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]+ 324.123026 170.5
[M+Na]+ 346.104968 178.0
[M-H]- 322.108474 176.4
[M+NH4]+ 341.149573 186.5
[M+K]+ 362.078908 176.0
[M+H-H2O]+ 306.113010 162.5
[M+HCOO]- 368.113951 182.2
[M+CH3COO]- 382.129601 181.1
[M+Na-2H]- 344.090416 175.7
[M]+ 323.11520142 172.8
[M]- 323.11629858 172.8
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.