CID 217353

38651-96-6

Structural Information

Molecular Formula
C20H33N3O3
SMILES
CCC(C)NCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O
InChI
InChI=1S/C20H33N3O3/c1-3-15(2)21-13-18(24)14-26-19-11-9-17(10-12-19)23-20(25)22-16-7-5-4-6-8-16/h9-12,15-16,18,21,24H,3-8,13-14H2,1-2H3,(H2,22,23,25)
InChIKey
BYFPZFQUIDVKHC-UHFFFAOYSA-N
Compound name
1-[4-[3-(butan-2-ylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

363.2522 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.25948 189.2
[M+Na]+ 386.24142 187.2
[M-H]- 362.24492 192.0
[M+NH4]+ 381.28602 199.0
[M+K]+ 402.21536 184.8
[M+H-H2O]+ 346.24946 179.9
[M+HCOO]- 408.25040 206.5
[M+CH3COO]- 422.26605 221.9
[M+Na-2H]- 384.22687 187.9
[M]+ 363.25165 184.0
[M]- 363.25275 184.0
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