CID 379881

Nsc665073

Structural Information

Molecular Formula
C23H20N2O4
SMILES
CC(=NN1C(=O)C2C3C4=CC=CC=C4C(C2C1=O)(C5=CC=CC=C35)OC(=O)C)C
InChI
InChI=1S/C23H20N2O4/c1-12(2)24-25-21(27)19-18-14-8-4-6-10-16(14)23(29-13(3)26,20(19)22(25)28)17-11-7-5-9-15(17)18/h4-11,18-20H,1-3H3
InChIKey
IZWDECYHTPOGKZ-UHFFFAOYSA-N
Compound name
[16,18-dioxo-17-(propan-2-ylideneamino)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14958 186.2
[M+Na]+ 411.13152 191.9
[M-H]- 387.13502 190.8
[M+NH4]+ 406.17612 204.8
[M+K]+ 427.10546 187.8
[M+H-H2O]+ 371.13956 176.5
[M+HCOO]- 433.14050 197.6
[M+CH3COO]- 447.15615 195.1
[M+Na-2H]- 409.11697 189.9
[M]+ 388.14175 191.0
[M]- 388.14285 191.0
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.