CID 22061188

1-(3-aminophenyl)-3-ethylurea

Structural Information

Molecular Formula
C9H13N3O
SMILES
CCNC(=O)NC1=CC=CC(=C1)N
InChI
InChI=1S/C9H13N3O/c1-2-11-9(13)12-8-5-3-4-7(10)6-8/h3-6H,2,10H2,1H3,(H2,11,12,13)
InChIKey
AGUVEYUHJHEDAW-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

179.10587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 138.6
[M+Na]+ 202.09509 144.5
[M-H]- 178.09859 141.9
[M+NH4]+ 197.13969 157.5
[M+K]+ 218.06903 142.5
[M+H-H2O]+ 162.10313 131.9
[M+HCOO]- 224.10407 165.0
[M+CH3COO]- 238.11972 187.4
[M+Na-2H]- 200.08054 144.5
[M]+ 179.10532 135.5
[M]- 179.10642 135.5
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

patents stripe