CID 215075

Bicarbamimide, 2-phenyl-n-propyl-

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CCCN1C(=O)NN(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13N3O2/c1-2-8-13-10(15)12-14(11(13)16)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,15)
InChIKey
JZVFWGFBBQGCCF-UHFFFAOYSA-N
Compound name
1-phenyl-4-propyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 146.5
[M+Na]+ 242.08999 157.2
[M-H]- 218.09349 148.9
[M+NH4]+ 237.13459 162.4
[M+K]+ 258.06393 152.6
[M+H-H2O]+ 202.09803 138.2
[M+HCOO]- 264.09897 168.0
[M+CH3COO]- 278.11462 184.6
[M+Na-2H]- 240.07544 150.8
[M]+ 219.10022 147.6
[M]- 219.10132 147.6
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.