CID 3351790

4,4'-methylenebis(1-ethyl-3-phenylurea)

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCC
InChI
InChI=1S/C19H24N4O2/c1-3-20-18(24)22-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)23-19(25)21-4-2/h5-12H,3-4,13H2,1-2H3,(H2,20,22,24)(H2,21,23,25)
InChIKey
CPIULYZPWLZMGH-UHFFFAOYSA-N
Compound name
1-ethyl-3-[4-[[4-(ethylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1899 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19718 182.4
[M+Na]+ 363.17912 185.2
[M-H]- 339.18262 188.5
[M+NH4]+ 358.22372 194.3
[M+K]+ 379.15306 181.6
[M+H-H2O]+ 323.18716 172.8
[M+HCOO]- 385.18810 207.9
[M+CH3COO]- 399.20375 221.5
[M+Na-2H]- 361.16457 185.6
[M]+ 340.18935 181.0
[M]- 340.19045 181.0
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.