CID 165363152

Dtxsid601024766

Structural Information

Molecular Formula
C24H28N2O6
SMILES
CC1=CC(=CC(=C1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3O)C
InChI
InChI=1S/C24H28N2O6/c1-13-10-15(12-16(11-13)23(30)31)22(29)26(24(3,4)5)25-21(28)17-6-7-19-20(14(17)2)18(27)8-9-32-19/h6-7,10-12,18,27H,8-9H2,1-5H3,(H,25,28)(H,30,31)
InChIKey
VKFTYLSHJWJFIF-UHFFFAOYSA-N
Compound name
3-[tert-butyl-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carbonyl)amino]carbamoyl]-5-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

440.19473 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.20201 204.9
[M+Na]+ 463.18395 208.2
[M-H]- 439.18745 211.3
[M+NH4]+ 458.22855 212.4
[M+K]+ 479.15789 208.2
[M+H-H2O]+ 423.19199 196.7
[M+HCOO]- 485.19293 218.3
[M+CH3COO]- 499.20858 237.3
[M+Na-2H]- 461.16940 204.1
[M]+ 440.19418 206.1
[M]- 440.19528 206.1
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.