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]+ 254.128776 154.9
[M+Na]+ 276.110718 160.9
[M-H]- 252.114224 159.9
[M+NH4]+ 271.155323 171.1
[M+K]+ 292.084658 161.1
[M+H-H2O]+ 236.118760 148.3
[M+HCOO]- 298.119701 174.9
[M+CH3COO]- 312.135351 165.9
[M+Na-2H]- 274.096166 162.4
[M]+ 253.12095142 149.5
[M]- 253.12204858 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.