CID 3024736

Crl 41220

Structural Information

Molecular Formula
C14H18Cl2N2O2
SMILES
CC(C)NC(C)C(=O)C1=CC(=C(C(=C1)Cl)NC(=O)C)Cl
InChI
InChI=1S/C14H18Cl2N2O2/c1-7(2)17-8(3)14(20)10-5-11(15)13(12(16)6-10)18-9(4)19/h5-8,17H,1-4H3,(H,18,19)
InChIKey
UKXLCHYIWGDOJS-UHFFFAOYSA-N
Compound name
N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

316.07452 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08180 170.6
[M+Na]+ 339.06374 177.7
[M-H]- 315.06724 173.9
[M+NH4]+ 334.10834 186.3
[M+K]+ 355.03768 173.0
[M+H-H2O]+ 299.07178 166.3
[M+HCOO]- 361.07272 183.1
[M+CH3COO]- 375.08837 213.0
[M+Na-2H]- 337.04919 168.7
[M]+ 316.07397 174.4
[M]- 316.07507 174.4
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

patents stripe