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]+ 258.12370 160.0
[M+Na]+ 280.10564 166.2
[M-H]- 256.10914 162.0
[M+NH4]+ 275.15024 172.9
[M+K]+ 296.07958 160.2
[M+H-H2O]+ 240.11368 151.2
[M+HCOO]- 302.11462 178.1
[M+CH3COO]- 316.13027 194.7
[M+Na-2H]- 278.09109 162.9
[M]+ 257.11587 154.3
[M]- 257.11697 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.