CID 135599715

Urea, 1-(p-aminophenyl)-3-ethylamino-, dihydrochloride

Structural Information

Molecular Formula
C10H15N5O
SMILES
CCN/N=C/NC(=O)NC1=CC=C(C=C1)N
InChI
InChI=1S/C10H15N5O/c1-2-13-14-7-12-10(16)15-9-5-3-8(11)4-6-9/h3-7,13H,2,11H2,1H3,(H2,12,14,15,16)
InChIKey
WQVBKAYAZKYVTI-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-3-[(E)-(ethylhydrazinylidene)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12766 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.13494 147.4
[M+Na]+ 244.11688 151.9
[M-H]- 220.12038 151.9
[M+NH4]+ 239.16148 164.5
[M+K]+ 260.09082 150.2
[M+H-H2O]+ 204.12492 139.2
[M+HCOO]- 266.12586 177.1
[M+CH3COO]- 280.14151 202.1
[M+Na-2H]- 242.10233 154.1
[M]+ 221.12711 144.2
[M]- 221.12821 144.2
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.