CID 135416868

Brn 0920427

Structural Information

Molecular Formula
C14H15N3O2
SMILES
C=CCC1C(=O)NC(=NCC2=CC=CC=C2)NC1=O
InChI
InChI=1S/C14H15N3O2/c1-2-6-11-12(18)16-14(17-13(11)19)15-9-10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9H2,(H2,15,16,17,18,19)
InChIKey
QQKQHLFZGJBZSW-UHFFFAOYSA-N
Compound name
2-benzylimino-5-prop-2-enyl-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.11642 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.123696 160.0
[M+Na]+ 280.105638 166.2
[M-H]- 256.109144 162.0
[M+NH4]+ 275.150243 172.9
[M+K]+ 296.079578 160.2
[M+H-H2O]+ 240.113680 151.2
[M+HCOO]- 302.114621 178.1
[M+CH3COO]- 316.130271 194.7
[M+Na-2H]- 278.091086 162.9
[M]+ 257.11587142 154.3
[M]- 257.11696858 154.3
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.