CID 337124

Nsc353902

Structural Information

Molecular Formula
C20H14N2O4
SMILES
CC1=CC(=O)C2=C(N1)C3=C(C=C2)OC4=C(O3)C=CC5=C4NC(=CC5=O)C
InChI
InChI=1S/C20H14N2O4/c1-9-7-13(23)11-3-5-15-19(17(11)21-9)25-16-6-4-12-14(24)8-10(2)22-18(12)20(16)26-15/h3-8H,1-2H3,(H,21,23)(H,22,24)
InChIKey
RYQQAMQZAYDTNX-UHFFFAOYSA-N
Compound name
6,17-dimethyl-2,13-dioxa-5,16-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),6,10,15(20),17,21-octaene-8,19-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10265 181.0
[M+Na]+ 369.08459 194.4
[M-H]- 345.08809 185.7
[M+NH4]+ 364.12919 191.9
[M+K]+ 385.05853 189.0
[M+H-H2O]+ 329.09263 170.7
[M+HCOO]- 391.09357 193.5
[M+CH3COO]- 405.10922 191.6
[M+Na-2H]- 367.07004 189.7
[M]+ 346.09482 184.9
[M]- 346.09592 184.9
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.