CID 282500

1-cyclopropyl-3-(1-naphthyl)urea

Structural Information

Molecular Formula
C14H14N2O
SMILES
C1CC1NC(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C14H14N2O/c17-14(15-11-8-9-11)16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H2,15,16,17)
InChIKey
FKEQZELVGBYDLF-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

226.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 145.0
[M+Na]+ 249.09983 153.0
[M-H]- 225.10333 153.1
[M+NH4]+ 244.14443 158.7
[M+K]+ 265.07377 148.6
[M+H-H2O]+ 209.10787 138.0
[M+HCOO]- 271.10881 169.9
[M+CH3COO]- 285.12446 157.4
[M+Na-2H]- 247.08528 153.4
[M]+ 226.11006 145.6
[M]- 226.11116 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.