CID 29559587

3-(3-aminophenyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

Structural Information

Molecular Formula
C17H19N3O
SMILES
C1CCC2=C(C1)C=CC=C2NC(=O)NC3=CC=CC(=C3)N
InChI
InChI=1S/C17H19N3O/c18-13-7-4-8-14(11-13)19-17(21)20-16-10-3-6-12-5-1-2-9-15(12)16/h3-4,6-8,10-11H,1-2,5,9,18H2,(H2,19,20,21)
InChIKey
CSRHLEDIFGWHAZ-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.160076 162.5
[M+Na]+ 304.142018 166.6
[M-H]- 280.145524 168.8
[M+NH4]+ 299.186623 177.8
[M+K]+ 320.115958 161.9
[M+H-H2O]+ 264.150060 154.1
[M+HCOO]- 326.151001 184.6
[M+CH3COO]- 340.166651 172.7
[M+Na-2H]- 302.127466 168.1
[M]+ 281.15225142 156.3
[M]- 281.15334858 156.3
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.