CID 393366

Nsc695173

Structural Information

Molecular Formula
C19H11NO3
SMILES
C1=CC2=C3C(=C1)OC4=C5C3(C6=C(O2)C=CC=C6OC5=CC=C4)N
InChI
InChI=1S/C19H11NO3/c20-19-16-10-4-1-5-11(16)22-13-7-3-9-15(18(13)19)23-14-8-2-6-12(21-10)17(14)19/h1-9H,20H2
InChIKey
IJUYAGAKHWNHQB-UHFFFAOYSA-N
Compound name
8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.07388 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08116 163.3
[M+Na]+ 324.06310 172.1
[M-H]- 300.06660 169.9
[M+NH4]+ 319.10770 180.9
[M+K]+ 340.03704 170.6
[M+H-H2O]+ 284.07114 152.3
[M+HCOO]- 346.07208 174.8
[M+CH3COO]- 360.08773 174.3
[M+Na-2H]- 322.04855 176.6
[M]+ 301.07333 167.4
[M]- 301.07443 167.4
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.