CID 15238819

Dtxsid201024764

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3O)C)C
InChI
InChI=1S/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)
InChIKey
VKKRNTCFTCRWGQ-UHFFFAOYSA-N
Compound name
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

410.22055 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.227826 201.9
[M+Na]+ 433.209768 206.2
[M-H]- 409.213274 209.7
[M+NH4]+ 428.254373 211.8
[M+K]+ 449.183708 205.1
[M+H-H2O]+ 393.217810 193.5
[M+HCOO]- 455.218751 217.3
[M+CH3COO]- 469.234401 234.3
[M+Na-2H]- 431.195216 201.9
[M]+ 410.22000142 203.3
[M]- 410.22109858 203.3
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

No patent data available for this compound.