CID 4184560

329777-69-7

Structural Information

Molecular Formula
C11H14FN3O2
SMILES
CCCNC(=O)NNC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C11H14FN3O2/c1-2-7-13-11(17)15-14-10(16)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,14,16)(H2,13,15,17)
InChIKey
GNRNJXYRLPJFKZ-UHFFFAOYSA-N
Compound name
1-[(4-fluorobenzoyl)amino]-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

239.10701 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11429 152.7
[M+Na]+ 262.09623 157.8
[M-H]- 238.09973 154.9
[M+NH4]+ 257.14083 169.3
[M+K]+ 278.07017 155.8
[M+H-H2O]+ 222.10427 144.4
[M+HCOO]- 284.10521 177.4
[M+CH3COO]- 298.12086 197.7
[M+Na-2H]- 260.08168 156.8
[M]+ 239.10646 150.1
[M]- 239.10756 150.1
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.