CID 135463950

Brn 5585391

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CCCC1(C(=NC2=CC=CC=C2)NC(=O)NC1=O)CCC
InChI
InChI=1S/C16H21N3O2/c1-3-10-16(11-4-2)13(18-15(21)19-14(16)20)17-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,17,18,19,20,21)
InChIKey
XHHQPAJYIKTOFS-UHFFFAOYSA-N
Compound name
6-phenylimino-5,5-dipropyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1634 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 169.9
[M+Na]+ 310.15262 180.8
[M+NH4]+ 305.19722 176.9
[M+K]+ 326.12656 172.1
[M-H]- 286.15612 171.7
[M+Na-2H]- 308.13807 176.2
[M]+ 287.16285 171.7
[M]- 287.16395 171.7
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.