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]+ 308.23326 178.9
[M+Na]+ 330.21520 180.1
[M-H]- 306.21870 182.3
[M+NH4]+ 325.25980 193.1
[M+K]+ 346.18914 179.2
[M+H-H2O]+ 290.22324 169.9
[M+HCOO]- 352.22418 202.9
[M+CH3COO]- 366.23983 217.3
[M+Na-2H]- 328.20065 180.4
[M]+ 307.22543 181.3
[M]- 307.22653 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.