CID 23207

6754-96-7

Structural Information

Molecular Formula
C15H21N3O4
SMILES
CN(C)C(=O)CNC(=O)C1=CC=CC=C1OCC(=O)N(C)C
InChI
InChI=1S/C15H21N3O4/c1-17(2)13(19)9-16-15(21)11-7-5-6-8-12(11)22-10-14(20)18(3)4/h5-8H,9-10H2,1-4H3,(H,16,21)
InChIKey
IJCNJEJGRGVNMF-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(dimethylamino)-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

307.1532 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.160476 173.0
[M+Na]+ 330.142418 176.4
[M-H]- 306.145924 178.9
[M+NH4]+ 325.187023 187.8
[M+K]+ 346.116358 178.1
[M+H-H2O]+ 290.150460 164.6
[M+HCOO]- 352.151401 198.1
[M+CH3COO]- 366.167051 218.8
[M+Na-2H]- 328.127866 173.2
[M]+ 307.15265142 177.2
[M]- 307.15374858 177.2
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