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]+ 253.13355 154.7
[M+Na]+ 275.11549 160.2
[M-H]- 251.11899 160.8
[M+NH4]+ 270.16009 172.2
[M+K]+ 291.08943 160.3
[M+H-H2O]+ 235.12353 149.5
[M+HCOO]- 297.12447 175.6
[M+CH3COO]- 311.14012 166.0
[M+Na-2H]- 273.10094 161.6
[M]+ 252.12572 149.1
[M]- 252.12682 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.