CID 217784

39617-74-8

Structural Information

Molecular Formula
C17H29N3O3
SMILES
CCCCNC(=O)NC1=CC=C(C=C1)OCC(CNC(C)C)O
InChI
InChI=1S/C17H29N3O3/c1-4-5-10-18-17(22)20-14-6-8-16(9-7-14)23-12-15(21)11-19-13(2)3/h6-9,13,15,19,21H,4-5,10-12H2,1-3H3,(H2,18,20,22)
InChIKey
PJWYGCSRBKHVRE-UHFFFAOYSA-N
Compound name
1-butyl-3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.2209 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.22818 181.2
[M+Na]+ 346.21012 182.4
[M-H]- 322.21362 182.2
[M+NH4]+ 341.25472 193.5
[M+K]+ 362.18406 180.5
[M+H-H2O]+ 306.21816 172.8
[M+HCOO]- 368.21910 202.5
[M+CH3COO]- 382.23475 215.9
[M+Na-2H]- 344.19557 181.2
[M]+ 323.22035 181.7
[M]- 323.22145 181.7
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

No patent data available for this compound.