CID 69406100

Norisodomesticine

Structural Information

Molecular Formula
C18H17NO4
SMILES
COC1=C(C=C2CCNC3C2=C1C4=CC5=C(C=C4C3)OCO5)O
InChI
InChI=1S/C18H17NO4/c1-21-18-13(20)5-9-2-3-19-12-4-10-6-14-15(23-8-22-14)7-11(10)17(18)16(9)12/h5-7,12,19-20H,2-4,8H2,1H3
InChIKey
GUVKEPNWVHYXGH-UHFFFAOYSA-N
Compound name
19-methoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-18-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

311.11575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.123026 166.8
[M+Na]+ 334.104968 174.8
[M-H]- 310.108474 170.5
[M+NH4]+ 329.149573 182.3
[M+K]+ 350.078908 171.5
[M+H-H2O]+ 294.113010 159.6
[M+HCOO]- 356.113951 176.7
[M+CH3COO]- 370.129601 177.0
[M+Na-2H]- 332.090416 172.4
[M]+ 311.11520142 167.5
[M]- 311.11629858 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe