CID 482073

Schembl29433000

Structural Information

Molecular Formula
C18H17N3O
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=CC3=CC=CC=C3N=C2
InChI
InChI=1S/C18H17N3O/c22-18(19-11-10-14-6-2-1-3-7-14)21-16-12-15-8-4-5-9-17(15)20-13-16/h1-9,12-13H,10-11H2,(H2,19,21,22)
InChIKey
SAENNHSRIBLECB-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-3-quinolin-3-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.13718 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14446 166.3
[M+Na]+ 314.12640 171.8
[M-H]- 290.12990 171.9
[M+NH4]+ 309.17100 180.2
[M+K]+ 330.10034 166.4
[M+H-H2O]+ 274.13444 156.6
[M+HCOO]- 336.13538 189.2
[M+CH3COO]- 350.15103 176.7
[M+Na-2H]- 312.11185 174.7
[M]+ 291.13663 164.9
[M]- 291.13773 164.9
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