CID 43468903

1-(4-aminophenyl)-3-cyclopentylurea

Structural Information

Molecular Formula
C12H17N3O
SMILES
C1CCC(C1)NC(=O)NC2=CC=C(C=C2)N
InChI
InChI=1S/C12H17N3O/c13-9-5-7-11(8-6-9)15-12(16)14-10-3-1-2-4-10/h5-8,10H,1-4,13H2,(H2,14,15,16)
InChIKey
NIVTZIGNCXJMHR-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-3-cyclopentylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.13716 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 148.3
[M+Na]+ 242.12638 152.0
[M-H]- 218.12988 154.1
[M+NH4]+ 237.17098 166.9
[M+K]+ 258.10032 149.2
[M+H-H2O]+ 202.13442 140.7
[M+HCOO]- 264.13536 173.1
[M+CH3COO]- 278.15101 192.8
[M+Na-2H]- 240.11183 151.4
[M]+ 219.13661 141.8
[M]- 219.13771 141.8
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