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
3
Annotation Hits

25
References

34615
Patents

394.22565 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23293 198.9
[M+Na]+ 417.21487 203.0
[M-H]- 393.21837 207.7
[M+NH4]+ 412.25947 210.0
[M+K]+ 433.18881 201.7
[M+H-H2O]+ 377.22291 190.1
[M+HCOO]- 439.22385 215.6
[M+CH3COO]- 453.23950 232.9
[M+Na-2H]- 415.20032 199.7
[M]+ 394.22510 200.2
[M]- 394.22620 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