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]+ 278.161146 166.7
[M+Na]+ 300.143088 169.8
[M-H]- 276.146594 171.9
[M+NH4]+ 295.187693 181.7
[M+K]+ 316.117028 169.9
[M+H-H2O]+ 260.151130 157.9
[M+HCOO]- 322.152071 193.7
[M+CH3COO]- 336.167721 216.5
[M+Na-2H]- 298.128536 167.5
[M]+ 277.15332142 164.2
[M]- 277.15441858 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.