CID 3039636

50903-17-8

Structural Information

Molecular Formula
C20H33N3O3
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1NC(=O)NC2CCCCC2)O
InChI
InChI=1S/C20H33N3O3/c1-20(2,3)21-13-16(24)14-26-18-12-8-7-11-17(18)23-19(25)22-15-9-5-4-6-10-15/h7-8,11-12,15-16,21,24H,4-6,9-10,13-14H2,1-3H3,(H2,22,23,25)
InChIKey
NRZOEGNSTSNSPV-UHFFFAOYSA-N
Compound name
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

363.2522 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.25948 188.3
[M+Na]+ 386.24142 187.1
[M-H]- 362.24492 191.5
[M+NH4]+ 381.28602 198.5
[M+K]+ 402.21536 184.8
[M+H-H2O]+ 346.24946 179.7
[M+HCOO]- 408.25040 205.2
[M+CH3COO]- 422.26605 220.8
[M+Na-2H]- 384.22687 189.3
[M]+ 363.25165 183.3
[M]- 363.25275 183.3
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