CID 3038302

1,1'-vinylenebis(3,3'-(2-tetrahydropyranylmethyl)urea)

Structural Information

Molecular Formula
C16H28N4O4
SMILES
C1CCOC(C1)CNC(=O)N/C=C/NC(=O)NCC2CCCCO2
InChI
InChI=1S/C16H28N4O4/c21-15(19-11-13-5-1-3-9-23-13)17-7-8-18-16(22)20-12-14-6-2-4-10-24-14/h7-8,13-14H,1-6,9-12H2,(H2,17,19,21)(H2,18,20,22)/b8-7+
InChIKey
YPNSHKURLDNOPJ-BQYQJAHWSA-N
Compound name
1-(oxan-2-ylmethyl)-3-[(E)-2-(oxan-2-ylmethylcarbamoylamino)ethenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.21106 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.21834 182.7
[M+Na]+ 363.20028 179.4
[M-H]- 339.20378 187.5
[M+NH4]+ 358.24488 190.8
[M+K]+ 379.17422 179.6
[M+H-H2O]+ 323.20832 173.0
[M+HCOO]- 385.20926 199.3
[M+CH3COO]- 399.22491 216.3
[M+Na-2H]- 361.18573 184.9
[M]+ 340.21051 174.4
[M]- 340.21161 174.4
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.