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
1
Annotation Hits

0
References

23
Patents

381.08984 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.097116 185.9
[M+Na]+ 404.079058 194.4
[M-H]- 380.082564 191.1
[M+NH4]+ 399.123663 199.0
[M+K]+ 420.052998 188.0
[M+H-H2O]+ 364.087100 180.1
[M+HCOO]- 426.088041 197.5
[M+CH3COO]- 440.103691 219.6
[M+Na-2H]- 402.064506 184.3
[M]+ 381.08929142 192.3
[M]- 381.09038858 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