CID 3070409

N-(2-(diethylamino)-3-propoxypropyl)-n'-(4-fluorophenyl)urea

Structural Information

Molecular Formula
C17H28FN3O2
SMILES
CCCOCC(CNC(=O)NC1=CC=C(C=C1)F)N(CC)CC
InChI
InChI=1S/C17H28FN3O2/c1-4-11-23-13-16(21(5-2)6-3)12-19-17(22)20-15-9-7-14(18)8-10-15/h7-10,16H,4-6,11-13H2,1-3H3,(H2,19,20,22)
InChIKey
WMAMVKOIUPEVIC-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)-3-propoxypropyl]-3-(4-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21655 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22383 181.6
[M+Na]+ 348.20577 183.8
[M-H]- 324.20927 183.9
[M+NH4]+ 343.25037 195.2
[M+K]+ 364.17971 182.4
[M+H-H2O]+ 308.21381 171.9
[M+HCOO]- 370.21475 204.5
[M+CH3COO]- 384.23040 221.2
[M+Na-2H]- 346.19122 181.8
[M]+ 325.21600 183.2
[M]- 325.21710 183.2
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.