CID 363009

Nsc627548

Structural Information

Molecular Formula
C18H17NO4
SMILES
COC1=C(C(=C2C3=C(C=C(C=C3)O)C4=NCCC1=C24)OC)OC
InChI
InChI=1S/C18H17NO4/c1-21-16-11-6-7-19-15-12-8-9(20)4-5-10(12)14(13(11)15)17(22-2)18(16)23-3/h4-5,8,20H,6-7H2,1-3H3
InChIKey
XRWAYXPWIWIDLE-UHFFFAOYSA-N
Compound name
6,7,8-trimethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10(15),11,13-heptaen-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.11575 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 171.2
[M+Na]+ 334.10497 181.8
[M-H]- 310.10847 175.2
[M+NH4]+ 329.14957 189.8
[M+K]+ 350.07891 177.7
[M+H-H2O]+ 294.11301 164.1
[M+HCOO]- 356.11395 189.0
[M+CH3COO]- 370.12960 183.1
[M+Na-2H]- 332.09042 175.8
[M]+ 311.11520 178.3
[M]- 311.11630 178.3
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

No patent data available for this compound.