CID 12313196

(s)-neolitsine

Structural Information

Molecular Formula
C19H17NO4
SMILES
CN1CCC2=CC3=C(C4=C2C1CC5=CC6=C(C=C54)OCO6)OCO3
InChI
InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3
InChIKey
GKEOKAJRKHTDOS-UHFFFAOYSA-N
Compound name
13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

323.11575 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 172.1
[M+Na]+ 346.10497 186.4
[M+NH4]+ 341.14957 182.5
[M+K]+ 362.07891 183.7
[M-H]- 322.10847 180.4
[M+Na-2H]- 344.09042 170.5
[M]+ 323.11520 176.8
[M]- 323.11630 176.8
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

patents stripe