CID 4282937

1,1-dibutyl-3-(4-fluorophenyl)urea

Structural Information

Molecular Formula
C15H23FN2O
SMILES
CCCCN(CCCC)C(=O)NC1=CC=C(C=C1)F
InChI
InChI=1S/C15H23FN2O/c1-3-5-11-18(12-6-4-2)15(19)17-14-9-7-13(16)8-10-14/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKey
DMQXKZRISBXSCF-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-(4-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

266.17944 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18672 165.4
[M+Na]+ 289.16866 169.8
[M-H]- 265.17216 168.2
[M+NH4]+ 284.21326 182.1
[M+K]+ 305.14260 167.6
[M+H-H2O]+ 249.17670 156.8
[M+HCOO]- 311.17764 188.9
[M+CH3COO]- 325.19329 207.2
[M+Na-2H]- 287.15411 167.5
[M]+ 266.17889 166.4
[M]- 266.17999 166.4
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

patents stripe