CID 373976

Nsc651008

Structural Information

Molecular Formula
C24H24N4O4
SMILES
CCOC(=O)N1C=NC23C1(C(C2C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C24H24N4O4/c1-4-32-22(31)28-15-25-24-19(17-13-9-6-10-14-17)18(16-11-7-5-8-12-16)23(24,28)20(29)26(2)21(30)27(24)3/h5-15,18-19H,4H2,1-3H3
InChIKey
XKDZKJAXJPSBMV-UHFFFAOYSA-N
Compound name
ethyl 2,4-dimethyl-3,5-dioxo-10,11-diphenyl-2,4,7,9-tetrazatricyclo[4.3.2.01,6]undec-8-ene-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.17975 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.18703 205.6
[M+Na]+ 455.16897 213.0
[M-H]- 431.17247 213.2
[M+NH4]+ 450.21357 209.9
[M+K]+ 471.14291 210.8
[M+H-H2O]+ 415.17701 189.0
[M+HCOO]- 477.17795 217.5
[M+CH3COO]- 491.19360 230.7
[M+Na-2H]- 453.15442 203.9
[M]+ 432.17920 215.6
[M]- 432.18030 215.6
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.