CID 135406114

Brn 5633274

Structural Information

Molecular Formula
C20H29N3O4
SMILES
CCCC1(C(=NCCC2=CC(=C(C=C2)OC)OC)NC(=O)NC1=O)CCC
InChI
InChI=1S/C20H29N3O4/c1-5-10-20(11-6-2)17(22-19(25)23-18(20)24)21-12-9-14-7-8-15(26-3)16(13-14)27-4/h7-8,13H,5-6,9-12H2,1-4H3,(H2,21,22,23,24,25)
InChIKey
DCNNINQGIDKUOZ-UHFFFAOYSA-N
Compound name
6-[2-(3,4-dimethoxyphenyl)ethylimino]-5,5-dipropyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.21582 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22310 192.6
[M+Na]+ 398.20504 202.4
[M+NH4]+ 393.24964 197.8
[M+K]+ 414.17898 194.4
[M-H]- 374.20854 193.4
[M+Na-2H]- 396.19049 196.6
[M]+ 375.21527 193.9
[M]- 375.21637 193.9
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.