CID 6445659

Brn 2951334

Structural Information

Molecular Formula
C20H31N3O3
SMILES
C/C=C/CNCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O
InChI
InChI=1S/C20H31N3O3/c1-2-3-13-21-14-18(24)15-26-19-11-9-17(10-12-19)23-20(25)22-16-7-5-4-6-8-16/h2-3,9-12,16,18,21,24H,4-8,13-15H2,1H3,(H2,22,23,25)/b3-2+
InChIKey
RUPKEIHOXHDNNN-NSCUHMNNSA-N
Compound name
1-[4-[3-[[(E)-but-2-enyl]amino]-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.23654 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.24382 187.6
[M+Na]+ 384.22576 186.2
[M-H]- 360.22926 190.4
[M+NH4]+ 379.27036 197.6
[M+K]+ 400.19970 182.6
[M+H-H2O]+ 344.23380 178.2
[M+HCOO]- 406.23474 206.2
[M+CH3COO]- 420.25039 219.6
[M+Na-2H]- 382.21121 187.5
[M]+ 361.23599 182.2
[M]- 361.23709 182.2
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.