CID 10157484

Chromafenozide

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C
InChI
InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)
InChIKey
HPNSNYBUADCFDR-UHFFFAOYSA-N
Compound name
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

25
References

31067
Patents

394.22565 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.232926 198.9
[M+Na]+ 417.214868 203.0
[M-H]- 393.218374 207.7
[M+NH4]+ 412.259473 210.0
[M+K]+ 433.188808 201.7
[M+H-H2O]+ 377.222910 190.1
[M+HCOO]- 439.223851 215.6
[M+CH3COO]- 453.239501 232.9
[M+Na-2H]- 415.200316 199.7
[M]+ 394.22510142 200.2
[M]- 394.22619858 200.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe