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]+ 389.149576 186.2
[M+Na]+ 411.131518 191.9
[M-H]- 387.135024 190.8
[M+NH4]+ 406.176123 204.8
[M+K]+ 427.105458 187.8
[M+H-H2O]+ 371.139560 176.5
[M+HCOO]- 433.140501 197.6
[M+CH3COO]- 447.156151 195.1
[M+Na-2H]- 409.116966 189.9
[M]+ 388.14175142 191.0
[M]- 388.14284858 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.