CID 2824411

Ccg-49655

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CC(C)C1=CC=C(C=C1)NC2=C(C(=O)C2=O)NC3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C22H24N2O2/c1-13(2)15-5-9-17(10-6-15)23-19-20(22(26)21(19)25)24-18-11-7-16(8-12-18)14(3)4/h5-14,23-24H,1-4H3
InChIKey
RCJHCABQHOXXCH-UHFFFAOYSA-N
Compound name
3,4-bis(4-propan-2-ylanilino)cyclobut-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

348.18378 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.191056 189.4
[M+Na]+ 371.172998 194.9
[M-H]- 347.176504 199.2
[M+NH4]+ 366.217603 195.6
[M+K]+ 387.146938 193.8
[M+H-H2O]+ 331.181040 173.9
[M+HCOO]- 393.181981 212.1
[M+CH3COO]- 407.197631 225.9
[M+Na-2H]- 369.158446 188.6
[M]+ 348.18323142 200.0
[M]- 348.18432858 200.0
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

No patent data available for this compound.