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 190.8
[M+Na]+ 398.20504 196.5
[M-H]- 374.20854 192.8
[M+NH4]+ 393.24964 201.5
[M+K]+ 414.17898 191.8
[M+H-H2O]+ 358.21308 181.8
[M+HCOO]- 420.21402 207.0
[M+CH3COO]- 434.22967 220.0
[M+Na-2H]- 396.19049 191.0
[M]+ 375.21527 192.1
[M]- 375.21637 192.1
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.