CID 3070393

N-(3-ethoxy-2-(4-morpholinyl)propyl)-n,n'-diphenylurea (e)-2-butenedioate

Structural Information

Molecular Formula
C22H29N3O3
SMILES
CCOCC(CN(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2)N3CCOCC3
InChI
InChI=1S/C22H29N3O3/c1-2-27-18-21(24-13-15-28-16-14-24)17-25(20-11-7-4-8-12-20)22(26)23-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3,(H,23,26)
InChIKey
XZNMBJLNXXFRTM-UHFFFAOYSA-N
Compound name
1-(3-ethoxy-2-morpholin-4-ylpropyl)-1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.2209 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.22818 194.0
[M+Na]+ 406.21012 193.1
[M-H]- 382.21362 201.8
[M+NH4]+ 401.25472 201.1
[M+K]+ 422.18406 191.8
[M+H-H2O]+ 366.21816 182.1
[M+HCOO]- 428.21910 211.6
[M+CH3COO]- 442.23475 224.6
[M+Na-2H]- 404.19557 196.0
[M]+ 383.22035 191.8
[M]- 383.22145 191.8
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.