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]+ 341.197176 182.4
[M+Na]+ 363.179118 185.2
[M-H]- 339.182624 188.5
[M+NH4]+ 358.223723 194.3
[M+K]+ 379.153058 181.6
[M+H-H2O]+ 323.187160 172.8
[M+HCOO]- 385.188101 207.9
[M+CH3COO]- 399.203751 221.5
[M+Na-2H]- 361.164566 185.6
[M]+ 340.18935142 181.0
[M]- 340.19044858 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.