CID 38093

38767-87-2

Structural Information

Molecular Formula
C19H23ClN2O3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)NC2=CC=C(C=CC2=O)Cl)O
InChI
InChI=1S/C19H23ClN2O3/c1-13(2)21-11-16(23)12-25-17-7-5-15(6-8-17)22-18-9-3-14(20)4-10-19(18)24/h3-10,13,16,21,23H,11-12H2,1-2H3,(H,22,24)
InChIKey
RMCZBLNVNBUEQI-UHFFFAOYSA-N
Compound name
5-chloro-2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]cyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1397 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14698 184.0
[M+Na]+ 385.12892 193.4
[M+NH4]+ 380.17352 189.6
[M+K]+ 401.10286 188.3
[M-H]- 361.13242 187.2
[M+Na-2H]- 383.11437 189.8
[M]+ 362.13915 186.4
[M]- 362.14025 186.4
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.