CID 296812

38202-11-8

Structural Information

Molecular Formula
C20H22N2
SMILES
CC1(C2(N1C(N=C2C3=CC=CC=C3)(C)C)C4=CC=CC=C4)C
InChI
InChI=1S/C20H22N2/c1-18(2)20(16-13-9-6-10-14-16)17(15-11-7-5-8-12-15)21-19(3,4)22(18)20/h5-14H,1-4H3
InChIKey
JRQNMGPQAWXIPM-UHFFFAOYSA-N
Compound name
2,2,6,6-tetramethyl-4,5-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.17828 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 172.3
[M+Na]+ 313.16750 184.8
[M-H]- 289.17100 181.7
[M+NH4]+ 308.21210 189.2
[M+K]+ 329.14144 180.6
[M+H-H2O]+ 273.17554 164.4
[M+HCOO]- 335.17648 192.2
[M+CH3COO]- 349.19213 184.5
[M+Na-2H]- 311.15295 177.8
[M]+ 290.17773 177.2
[M]- 290.17883 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

No patent data available for this compound.