CID 21593830

Lettowianthine

Structural Information

Molecular Formula
C19H11NO4
SMILES
C1CN2C3=C(C4=CC=CC=C4C5=C3C1=CC6=C5OCO6)C(=O)C2=O
InChI
InChI=1S/C19H11NO4/c21-17-15-11-4-2-1-3-10(11)14-13-9(7-12-18(14)24-8-23-12)5-6-20(16(13)15)19(17)22/h1-4,7H,5-6,8H2
InChIKey
FMLHJJVSHOCVAU-UHFFFAOYSA-N
Compound name
3,5-dioxa-11-azahexacyclo[9.9.2.02,6.08,21.014,22.015,20]docosa-1(21),2(6),7,14(22),15,17,19-heptaene-12,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

317.06882 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07610 164.1
[M+Na]+ 340.05804 175.5
[M-H]- 316.06154 171.9
[M+NH4]+ 335.10264 183.6
[M+K]+ 356.03198 172.1
[M+H-H2O]+ 300.06608 157.8
[M+HCOO]- 362.06702 178.8
[M+CH3COO]- 376.08267 176.7
[M+Na-2H]- 338.04349 169.5
[M]+ 317.06827 170.1
[M]- 317.06937 170.1
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

No patent data available for this compound.