CID 3052640

Brn 0446193

Structural Information

Molecular Formula
C20H23N3O
SMILES
CN(C1CN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24)C(=O)N
InChI
InChI=1S/C20H23N3O/c1-22(20(21)24)16-12-23(13-16)19-17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)19/h2-9,16,19H,10-13H2,1H3,(H2,21,24)
InChIKey
JJFGDLLQBALENK-UHFFFAOYSA-N
Compound name
1-methyl-1-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1841 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 179.6
[M+Na]+ 344.17332 182.8
[M-H]- 320.17682 187.5
[M+NH4]+ 339.21792 187.3
[M+K]+ 360.14726 185.6
[M+H-H2O]+ 304.18136 166.9
[M+HCOO]- 366.18230 196.3
[M+CH3COO]- 380.19795 188.2
[M+Na-2H]- 342.15877 181.8
[M]+ 321.18355 182.4
[M]- 321.18465 182.4
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.