CID 3073983

154186-65-9

Structural Information

Molecular Formula
C24H23N3O4
SMILES
CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=NN(C(=O)C4C3C4)CC5=CC=CC=C5)O)C
InChI
InChI=1S/C24H23N3O4/c1-24(2)21(28)20(18-10-15(12-25)8-9-19(18)31-24)30-22-16-11-17(16)23(29)27(26-22)13-14-6-4-3-5-7-14/h3-10,16-17,20-21,28H,11,13H2,1-2H3
InChIKey
ALQJCWHPEUIFBY-UHFFFAOYSA-N
Compound name
4-[(4-benzyl-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)oxy]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

417.16885 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17613 203.1
[M+Na]+ 440.15807 218.7
[M+NH4]+ 435.20267 208.6
[M+K]+ 456.13201 207.6
[M-H]- 416.16157 208.1
[M+Na-2H]- 438.14352 208.2
[M]+ 417.16830 207.3
[M]- 417.16940 207.3
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

patents stripe