CID 3044556

57494-90-3

Structural Information

Molecular Formula
C21H35N3O3
SMILES
CC(C)(C)NCC(COC1=CC=C(C=C1)N(C)C(=O)NC2CCCCC2)O
InChI
InChI=1S/C21H35N3O3/c1-21(2,3)22-14-18(25)15-27-19-12-10-17(11-13-19)24(4)20(26)23-16-8-6-5-7-9-16/h10-13,16,18,22,25H,5-9,14-15H2,1-4H3,(H,23,26)
InChIKey
AAUDSGBTGJQGHQ-UHFFFAOYSA-N
Compound name
1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexyl-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.26785 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.27513 193.3
[M+Na]+ 400.25707 191.8
[M-H]- 376.26057 197.7
[M+NH4]+ 395.30167 203.5
[M+K]+ 416.23101 190.7
[M+H-H2O]+ 360.26511 184.4
[M+HCOO]- 422.26605 210.3
[M+CH3COO]- 436.28170 226.9
[M+Na-2H]- 398.24252 193.0
[M]+ 377.26730 189.8
[M]- 377.26840 189.8
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.