CID 3054156

Ita 374

Structural Information

Molecular Formula
C18H17ClN2O4
SMILES
CC(C)(C(=O)NC(=O)N)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H17ClN2O4/c1-18(2,16(23)21-17(20)24)25-14-9-5-12(6-10-14)15(22)11-3-7-13(19)8-4-11/h3-10H,1-2H3,(H3,20,21,23,24)
InChIKey
YNUJQDXTEJYRQP-UHFFFAOYSA-N
Compound name
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

360.08768 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09496 181.7
[M+Na]+ 383.07690 187.6
[M-H]- 359.08040 188.0
[M+NH4]+ 378.12150 194.0
[M+K]+ 399.05084 183.7
[M+H-H2O]+ 343.08494 174.6
[M+HCOO]- 405.08588 198.6
[M+CH3COO]- 419.10153 217.1
[M+Na-2H]- 381.06235 183.2
[M]+ 360.08713 184.2
[M]- 360.08823 184.2
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