CID 43808490

3-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea

Structural Information

Molecular Formula
C17H19N3O
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=CC=CC3=C2CCNC3
InChI
InChI=1S/C17H19N3O/c1-12-5-7-14(8-6-12)19-17(21)20-16-4-2-3-13-11-18-10-9-15(13)16/h2-8,18H,9-11H2,1H3,(H2,19,20,21)
InChIKey
DRRWKLLCWPYUPT-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 166.8
[M+Na]+ 304.14202 178.9
[M+NH4]+ 299.18662 175.0
[M+K]+ 320.11596 171.3
[M-H]- 280.14552 171.9
[M+Na-2H]- 302.12747 174.3
[M]+ 281.15225 169.8
[M]- 281.15335 169.8
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

No patent data available for this compound.