CID 781614

67616-11-9

Structural Information

Molecular Formula
C19H18N2O
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H18N2O/c22-19(20-14-13-15-7-2-1-3-8-15)21-18-12-6-10-16-9-4-5-11-17(16)18/h1-12H,13-14H2,(H2,20,21,22)
InChIKey
SEFKRPHYWRGFJI-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-3-(2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1419 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14918 166.6
[M+Na]+ 313.13112 171.6
[M-H]- 289.13462 173.4
[M+NH4]+ 308.17572 181.9
[M+K]+ 329.10506 166.3
[M+H-H2O]+ 273.13916 157.7
[M+HCOO]- 335.14010 190.5
[M+CH3COO]- 349.15575 177.4
[M+Na-2H]- 311.11657 174.2
[M]+ 290.14135 165.0
[M]- 290.14245 165.0
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.