CID 217350

38649-70-6

Structural Information

Molecular Formula
C19H31N3O3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O
InChI
InChI=1S/C19H31N3O3/c1-14(2)20-12-17(23)13-25-18-10-8-16(9-11-18)22-19(24)21-15-6-4-3-5-7-15/h8-11,14-15,17,20,23H,3-7,12-13H2,1-2H3,(H2,21,22,24)
InChIKey
WWCSRBJGECHTEY-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

349.23654 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.24382 184.9
[M+Na]+ 372.22576 183.3
[M-H]- 348.22926 188.0
[M+NH4]+ 367.27036 195.3
[M+K]+ 388.19970 181.2
[M+H-H2O]+ 332.23380 175.8
[M+HCOO]- 394.23474 202.6
[M+CH3COO]- 408.25039 218.9
[M+Na-2H]- 370.21121 184.1
[M]+ 349.23599 179.4
[M]- 349.23709 179.4
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

patents stripe