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]+ 411.22783 201.9
[M+Na]+ 433.20977 206.2
[M-H]- 409.21327 209.7
[M+NH4]+ 428.25437 211.8
[M+K]+ 449.18371 205.1
[M+H-H2O]+ 393.21781 193.5
[M+HCOO]- 455.21875 217.3
[M+CH3COO]- 469.23440 234.3
[M+Na-2H]- 431.19522 201.9
[M]+ 410.22000 203.3
[M]- 410.22110 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.