CID 52333

Nsc 7459

Structural Information

Molecular Formula
C21H26ClNO3
SMILES
CC(C)N(CCOC(=O)C1=CC(=CC(=C1O)C2=CC=CC=C2)Cl)C(C)C
InChI
InChI=1S/C21H26ClNO3/c1-14(2)23(15(3)4)10-11-26-21(25)19-13-17(22)12-18(20(19)24)16-8-6-5-7-9-16/h5-9,12-15,24H,10-11H2,1-4H3
InChIKey
YMESKIFTLSLBAH-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yl)amino]ethyl 5-chloro-2-hydroxy-3-phenylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.16013 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.167406 189.7
[M+Na]+ 398.149348 195.0
[M-H]- 374.152854 196.1
[M+NH4]+ 393.193953 202.4
[M+K]+ 414.123288 191.2
[M+H-H2O]+ 358.157390 182.2
[M+HCOO]- 420.158331 205.2
[M+CH3COO]- 434.173981 223.1
[M+Na-2H]- 396.134796 187.2
[M]+ 375.15958142 195.3
[M]- 375.16067858 195.3
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.