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]+ 376.16741 189.7
[M+Na]+ 398.14935 195.0
[M-H]- 374.15285 196.1
[M+NH4]+ 393.19395 202.4
[M+K]+ 414.12329 191.2
[M+H-H2O]+ 358.15739 182.2
[M+HCOO]- 420.15833 205.2
[M+CH3COO]- 434.17398 223.1
[M+Na-2H]- 396.13480 187.2
[M]+ 375.15958 195.3
[M]- 375.16068 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.