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]+ 220.108046 146.5
[M+Na]+ 242.089988 157.2
[M-H]- 218.093494 148.9
[M+NH4]+ 237.134593 162.4
[M+K]+ 258.063928 152.6
[M+H-H2O]+ 202.098030 138.2
[M+HCOO]- 264.098971 168.0
[M+CH3COO]- 278.114621 184.6
[M+Na-2H]- 240.075436 150.8
[M]+ 219.10022142 147.6
[M]- 219.10131858 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.