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 170.5
[M+Na]+ 346.10497 178.0
[M-H]- 322.10847 176.4
[M+NH4]+ 341.14957 186.5
[M+K]+ 362.07891 176.0
[M+H-H2O]+ 306.11301 162.5
[M+HCOO]- 368.11395 182.2
[M+CH3COO]- 382.12960 181.1
[M+Na-2H]- 344.09042 175.7
[M]+ 323.11520 172.8
[M]- 323.11630 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.