CID 3070389

N-(2-(diethylamino)-3-propoxypropyl)-n,n'-diphenylurea (e)-2-butenedioate

Structural Information

Molecular Formula
C23H33N3O2
SMILES
CCCOCC(CN(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2)N(CC)CC
InChI
InChI=1S/C23H33N3O2/c1-4-17-28-19-22(25(5-2)6-3)18-26(21-15-11-8-12-16-21)23(27)24-20-13-9-7-10-14-20/h7-16,22H,4-6,17-19H2,1-3H3,(H,24,27)
InChIKey
GFNDOGHCNRVPHA-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)-3-propoxypropyl]-1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.25726 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.26454 199.4
[M+Na]+ 406.24648 199.2
[M-H]- 382.24998 206.7
[M+NH4]+ 401.29108 210.4
[M+K]+ 422.22042 197.7
[M+H-H2O]+ 366.25452 188.4
[M+HCOO]- 428.25546 223.2
[M+CH3COO]- 442.27111 234.0
[M+Na-2H]- 404.23193 199.8
[M]+ 383.25671 202.5
[M]- 383.25781 202.5
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.