CID 984612

113918-60-8

Structural Information

Molecular Formula
C24H24N2O2
SMILES
CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)C(=O)N(CC)C3=CC=CC=C3
InChI
InChI=1S/C24H24N2O2/c1-3-25(21-14-7-5-8-15-21)23(27)19-12-11-13-20(18-19)24(28)26(4-2)22-16-9-6-10-17-22/h5-18H,3-4H2,1-2H3
InChIKey
XAOUTZSLDUFREL-UHFFFAOYSA-N
Compound name
1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

372.18378 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.191056 192.6
[M+Na]+ 395.172998 195.3
[M-H]- 371.176504 203.8
[M+NH4]+ 390.217603 204.0
[M+K]+ 411.146938 192.4
[M+H-H2O]+ 355.181040 181.6
[M+HCOO]- 417.181981 216.5
[M+CH3COO]- 431.197631 228.3
[M+Na-2H]- 393.158446 194.0
[M]+ 372.18323142 193.8
[M]- 372.18432858 193.8
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