CID 2251785

Cambridge id 5578963

Structural Information

Molecular Formula
C19H24N4O4
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)NCCO)NC(=O)NCCO
InChI
InChI=1S/C19H24N4O4/c24-11-9-20-18(26)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(27)21-10-12-25/h1-8,24-25H,9-13H2,(H2,20,22,26)(H2,21,23,27)
InChIKey
LZUBGQYVUZIPHB-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

88
Patents

372.17975 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.187026 185.8
[M+Na]+ 395.168968 187.3
[M-H]- 371.172474 189.1
[M+NH4]+ 390.213573 194.8
[M+K]+ 411.142908 183.7
[M+H-H2O]+ 355.177010 176.2
[M+HCOO]- 417.177951 208.7
[M+CH3COO]- 431.193601 221.8
[M+Na-2H]- 393.154416 188.6
[M]+ 372.17920142 183.5
[M]- 372.18029858 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe