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 166.8
[M+Na]+ 334.10497 174.8
[M-H]- 310.10847 170.5
[M+NH4]+ 329.14957 182.3
[M+K]+ 350.07891 171.5
[M+H-H2O]+ 294.11301 159.6
[M+HCOO]- 356.11395 176.7
[M+CH3COO]- 370.12960 177.0
[M+Na-2H]- 332.09042 172.4
[M]+ 311.11520 167.5
[M]- 311.11630 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