CID 377663

Nsc659244

Structural Information

Molecular Formula
C14H19N3O
SMILES
CNC(=O)NC1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C14H19N3O/c1-15-14(18)16-12-8-10-4-2-6-17-7-3-5-11(9-12)13(10)17/h8-9H,2-7H2,1H3,(H2,15,16,18)
InChIKey
ZFFAARNDSWKVLX-UHFFFAOYSA-N
Compound name
1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 154.3
[M+Na]+ 268.14204 158.4
[M-H]- 244.14554 156.3
[M+NH4]+ 263.18664 171.9
[M+K]+ 284.11598 155.0
[M+H-H2O]+ 228.15008 146.4
[M+HCOO]- 290.15102 171.3
[M+CH3COO]- 304.16667 164.4
[M+Na-2H]- 266.12749 161.1
[M]+ 245.15227 149.5
[M]- 245.15337 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.