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]+ 376.223096 190.8
[M+Na]+ 398.205038 196.5
[M-H]- 374.208544 192.8
[M+NH4]+ 393.249643 201.5
[M+K]+ 414.178978 191.8
[M+H-H2O]+ 358.213080 181.8
[M+HCOO]- 420.214021 207.0
[M+CH3COO]- 434.229671 220.0
[M+Na-2H]- 396.190486 191.0
[M]+ 375.21527142 192.1
[M]- 375.21636858 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.