CID 9533893

N-[4-(2-chloroacetamido)-2,5-dimethoxyphenyl]benzamide

Structural Information

Molecular Formula
C17H17ClN2O4
SMILES
COC1=CC(=C(C=C1NC(=O)CCl)OC)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H17ClN2O4/c1-23-14-9-13(20-17(22)11-6-4-3-5-7-11)15(24-2)8-12(14)19-16(21)10-18/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
RQWIUDDMUHTLEC-UHFFFAOYSA-N
Compound name
N-[4-[(2-chloroacetyl)amino]-2,5-dimethoxyphenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.08768 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.09496 178.6
[M+Na]+ 371.07690 185.4
[M-H]- 347.08040 185.5
[M+NH4]+ 366.12150 192.0
[M+K]+ 387.05084 181.5
[M+H-H2O]+ 331.08494 170.9
[M+HCOO]- 393.08588 198.8
[M+CH3COO]- 407.10153 215.4
[M+Na-2H]- 369.06235 181.0
[M]+ 348.08713 183.8
[M]- 348.08823 183.8
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.