CID 38094

Brn 2888412

Structural Information

Molecular Formula
C20H25ClN2O3
SMILES
CC(C)(C)NCC(COC1=CC=C(C=C1)NC2=CC=C(C=CC2=O)Cl)O
InChI
InChI=1S/C20H25ClN2O3/c1-20(2,3)22-12-16(24)13-26-17-8-6-15(7-9-17)23-18-10-4-14(21)5-11-19(18)25/h4-11,16,22,24H,12-13H2,1-3H3,(H,23,25)
InChIKey
SLOFMNJNPTZBKE-UHFFFAOYSA-N
Compound name
2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]anilino]-5-chlorocyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.15536 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16264 190.7
[M+Na]+ 399.14458 199.9
[M+NH4]+ 394.18918 196.0
[M+K]+ 415.11852 194.9
[M-H]- 375.14808 193.5
[M+Na-2H]- 397.13003 196.3
[M]+ 376.15481 193.0
[M]- 376.15591 193.0
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.