CID 45054355

4-(4,6-diphenyl-1,3-diazabicyclo(3.1.0)hex-3-en-2-yl)-n,n-dimethylaniline

Structural Information

Molecular Formula
C24H23N3
SMILES
CN(C)C1=CC=C(C=C1)C2N=C(C3N2C3C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H23N3/c1-26(2)20-15-13-19(14-16-20)24-25-21(17-9-5-3-6-10-17)23-22(27(23)24)18-11-7-4-8-12-18/h3-16,22-24H,1-2H3
InChIKey
RSXWXEAYFFVBFX-UHFFFAOYSA-N
Compound name
4-(4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1892 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.196476 186.3
[M+Na]+ 376.178418 195.6
[M-H]- 352.181924 198.6
[M+NH4]+ 371.223023 194.6
[M+K]+ 392.152358 188.5
[M+H-H2O]+ 336.186460 175.7
[M+HCOO]- 398.187401 208.4
[M+CH3COO]- 412.203051 196.6
[M+Na-2H]- 374.163866 188.4
[M]+ 353.18865142 189.2
[M]- 353.18974858 189.2
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

No patent data available for this compound.