CID 3070408

N-(2-(diethylamino)-3-propoxypropyl)-n'-(4-fluorophenyl)-n-phenylurea (e)-2-butenedioate

Structural Information

Molecular Formula
C23H32FN3O2
SMILES
CCCOCC(CN(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)F)N(CC)CC
InChI
InChI=1S/C23H32FN3O2/c1-4-16-29-18-22(26(5-2)6-3)17-27(21-10-8-7-9-11-21)23(28)25-20-14-12-19(24)13-15-20/h7-15,22H,4-6,16-18H2,1-3H3,(H,25,28)
InChIKey
IGAHTOIGNFRNOQ-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)-3-propoxypropyl]-3-(4-fluorophenyl)-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.24786 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.25514 202.6
[M+Na]+ 424.23708 203.4
[M-H]- 400.24058 208.8
[M+NH4]+ 419.28168 213.1
[M+K]+ 440.21102 201.5
[M+H-H2O]+ 384.24512 190.9
[M+HCOO]- 446.24606 225.3
[M+CH3COO]- 460.26171 237.8
[M+Na-2H]- 422.22253 201.6
[M]+ 401.24731 205.1
[M]- 401.24841 205.1
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.