CID 217353

Brn 3002173

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

0
Patents

363.2522 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.259476 189.2
[M+Na]+ 386.241418 187.2
[M-H]- 362.244924 192.0
[M+NH4]+ 381.286023 199.0
[M+K]+ 402.215358 184.8
[M+H-H2O]+ 346.249460 179.9
[M+HCOO]- 408.250401 206.5
[M+CH3COO]- 422.266051 221.9
[M+Na-2H]- 384.226866 187.9
[M]+ 363.25165142 184.0
[M]- 363.25274858 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