CID 392973

Nsc694215

Structural Information

Molecular Formula
C22H20N4O2
SMILES
CNC(=O)C1(C(C(C1C2=CC=CC=C2)(C#N)C(=O)NC)C3=CC=CC=C3)C#N
InChI
InChI=1S/C22H20N4O2/c1-25-19(27)21(13-23)17(15-9-5-3-6-10-15)22(14-24,20(28)26-2)18(21)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3,(H,25,27)(H,26,28)
InChIKey
VHPLSEZWTJYMFG-UHFFFAOYSA-N
Compound name
1,3-dicyano-1-N,3-N-dimethyl-2,4-diphenylcyclobutane-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.15863 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16591 200.5
[M+Na]+ 395.14785 207.9
[M-H]- 371.15135 206.0
[M+NH4]+ 390.19245 205.8
[M+K]+ 411.12179 204.5
[M+H-H2O]+ 355.15589 180.8
[M+HCOO]- 417.15683 210.4
[M+CH3COO]- 431.17248 241.4
[M+Na-2H]- 393.13330 198.6
[M]+ 372.15808 196.8
[M]- 372.15918 196.8
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.