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]+ 312.12303 170.4
[M+Na]+ 334.10497 184.1
[M+NH4]+ 329.14957 179.7
[M+K]+ 350.07891 179.3
[M-H]- 310.10847 175.2
[M+Na-2H]- 332.09042 170.6
[M]+ 311.11520 173.8
[M]- 311.11630 173.8
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