CID 208159

Brn 2858168

Structural Information

Molecular Formula
C16H16N2O
SMILES
C1C(C2=CC=CC=C2CC3=CC=CC=C31)NC(=O)N
InChI
InChI=1S/C16H16N2O/c17-16(19)18-15-10-12-6-2-1-5-11(12)9-13-7-3-4-8-14(13)15/h1-8,15H,9-10H2,(H3,17,18,19)
InChIKey
VPBYBQXHZRFLPT-UHFFFAOYSA-N
Compound name
9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 154.7
[M+Na]+ 275.115488 160.2
[M-H]- 251.118994 160.8
[M+NH4]+ 270.160093 172.2
[M+K]+ 291.089428 160.3
[M+H-H2O]+ 235.123530 149.5
[M+HCOO]- 297.124471 175.6
[M+CH3COO]- 311.140121 166.0
[M+Na-2H]- 273.100936 161.6
[M]+ 252.12572142 149.1
[M]- 252.12681858 149.1
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.