CID 3052640

69159-47-3

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]+ 322.191376 179.6
[M+Na]+ 344.173318 182.8
[M-H]- 320.176824 187.5
[M+NH4]+ 339.217923 187.3
[M+K]+ 360.147258 185.6
[M+H-H2O]+ 304.181360 166.9
[M+HCOO]- 366.182301 196.3
[M+CH3COO]- 380.197951 188.2
[M+Na-2H]- 342.158766 181.8
[M]+ 321.18355142 182.4
[M]- 321.18464858 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.