CID 215619

35957-57-4

Structural Information

Molecular Formula
C22H38N2O2
SMILES
CC(CC1(CN(C(=O)N(C1)C2CCCCC2)C3CCCCC3)CC=C)O
InChI
InChI=1S/C22H38N2O2/c1-3-14-22(15-18(2)25)16-23(19-10-6-4-7-11-19)21(26)24(17-22)20-12-8-5-9-13-20/h3,18-20,25H,1,4-17H2,2H3
InChIKey
PMDIHOLLEQNGKZ-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.29333 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.30061 195.9
[M+Na]+ 385.28255 194.4
[M-H]- 361.28605 197.8
[M+NH4]+ 380.32715 205.7
[M+K]+ 401.25649 189.6
[M+H-H2O]+ 345.29059 185.4
[M+HCOO]- 407.29153 201.2
[M+CH3COO]- 421.30718 214.5
[M+Na-2H]- 383.26800 190.2
[M]+ 362.29278 183.5
[M]- 362.29388 183.5
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.