CID 214749

Brn 0418830

Structural Information

Molecular Formula
C15H15N3O
SMILES
C1CC2=C(C=CC=N2)C(C3=CC=CC=C31)NC(=O)N
InChI
InChI=1S/C15H15N3O/c16-15(19)18-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-17-13/h1-6,9,14H,7-8H2,(H3,16,18,19)
InChIKey
QBXPWUXKKKUGDO-UHFFFAOYSA-N
Compound name
7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12878 154.9
[M+Na]+ 276.11072 160.9
[M-H]- 252.11422 159.9
[M+NH4]+ 271.15532 171.1
[M+K]+ 292.08466 161.1
[M+H-H2O]+ 236.11876 148.3
[M+HCOO]- 298.11970 174.9
[M+CH3COO]- 312.13535 165.9
[M+Na-2H]- 274.09617 162.4
[M]+ 253.12095 149.5
[M]- 253.12205 149.5
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.