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

126
Patents

307.1532 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16048 173.0
[M+Na]+ 330.14242 176.4
[M-H]- 306.14592 178.9
[M+NH4]+ 325.18702 187.8
[M+K]+ 346.11636 178.1
[M+H-H2O]+ 290.15046 164.6
[M+HCOO]- 352.15140 198.1
[M+CH3COO]- 366.16705 218.8
[M+Na-2H]- 328.12787 173.2
[M]+ 307.15265 177.2
[M]- 307.15375 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