CID 132160637

Abx-002

Structural Information

Molecular Formula
C19H21Cl2NO3
SMILES
CC(C)C1=C(C=CC(=C1)CC2=C(C=C(C=C2Cl)OCC(=O)NC)Cl)O
InChI
InChI=1S/C19H21Cl2NO3/c1-11(2)14-6-12(4-5-18(14)23)7-15-16(20)8-13(9-17(15)21)25-10-19(24)22-3/h4-6,8-9,11,23H,7,10H2,1-3H3,(H,22,24)
InChIKey
CQELSEDWYWTMDG-UHFFFAOYSA-N
Compound name
2-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

381.08984 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.09712 185.9
[M+Na]+ 404.07906 194.4
[M-H]- 380.08256 191.1
[M+NH4]+ 399.12366 199.0
[M+K]+ 420.05300 188.0
[M+H-H2O]+ 364.08710 180.1
[M+HCOO]- 426.08804 197.5
[M+CH3COO]- 440.10369 219.6
[M+Na-2H]- 402.06451 184.3
[M]+ 381.08929 192.3
[M]- 381.09039 192.3
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

patents stripe