CID 90626

2-benzoyl-n-(2-hydroxyethyl)-n-methylbenzamide

Structural Information

Molecular Formula
C17H17NO3
SMILES
CN(CCO)C(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H17NO3/c1-18(11-12-19)17(21)15-10-6-5-9-14(15)16(20)13-7-3-2-4-8-13/h2-10,19H,11-12H2,1H3
InChIKey
YQOHPRYMRZWLTA-UHFFFAOYSA-N
Compound name
2-benzoyl-N-(2-hydroxyethyl)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

283.12085 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.128126 165.8
[M+Na]+ 306.110068 170.6
[M-H]- 282.113574 172.1
[M+NH4]+ 301.154673 180.5
[M+K]+ 322.084008 168.2
[M+H-H2O]+ 266.118110 157.6
[M+HCOO]- 328.119051 188.2
[M+CH3COO]- 342.134701 203.5
[M+Na-2H]- 304.095516 168.2
[M]+ 283.12030142 166.5
[M]- 283.12139858 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe