CID 3070405

86398-89-2

Structural Information

Molecular Formula
C17H29N3O2
SMILES
CCCOCC(CNC(=O)NC1=CC=CC=C1)N(CC)CC
InChI
InChI=1S/C17H29N3O2/c1-4-12-22-14-16(20(5-2)6-3)13-18-17(21)19-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3,(H2,18,19,21)
InChIKey
KIQIGQOPBDMNQR-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.22598 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.233256 178.9
[M+Na]+ 330.215198 180.1
[M-H]- 306.218704 182.3
[M+NH4]+ 325.259803 193.1
[M+K]+ 346.189138 179.2
[M+H-H2O]+ 290.223240 169.9
[M+HCOO]- 352.224181 202.9
[M+CH3COO]- 366.239831 217.3
[M+Na-2H]- 328.200646 180.4
[M]+ 307.22543142 181.3
[M]- 307.22652858 181.3
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.