CID 199685

Urea, 1-amidino-3-(p-(diethylcarbamoyl)phenyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H19N5O2
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)N=C(N)N
InChI
InChI=1S/C13H19N5O2/c1-3-18(4-2)11(19)9-5-7-10(8-6-9)16-13(20)17-12(14)15/h5-8H,3-4H2,1-2H3,(H5,14,15,16,17,20)
InChIKey
OQPKNDRSUHVFJK-UHFFFAOYSA-N
Compound name
4-(diaminomethylidenecarbamoylamino)-N,N-diethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.15387 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16115 166.7
[M+Na]+ 300.14309 169.8
[M-H]- 276.14659 171.9
[M+NH4]+ 295.18769 181.7
[M+K]+ 316.11703 169.9
[M+H-H2O]+ 260.15113 157.9
[M+HCOO]- 322.15207 193.7
[M+CH3COO]- 336.16772 216.5
[M+Na-2H]- 298.12854 167.5
[M]+ 277.15332 164.2
[M]- 277.15442 164.2
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.