CID 3071648

Urea, n-(2-(7-methoxy-1-naphthalenyl)ethyl)-n'-(phenylmethyl)-

Structural Information

Molecular Formula
C21H22N2O2
SMILES
COC1=CC2=C(C=CC=C2CCNC(=O)NCC3=CC=CC=C3)C=C1
InChI
InChI=1S/C21H22N2O2/c1-25-19-11-10-17-8-5-9-18(20(17)14-19)12-13-22-21(24)23-15-16-6-3-2-4-7-16/h2-11,14H,12-13,15H2,1H3,(H2,22,23,24)
InChIKey
FSGJJZXJGYNUDS-UHFFFAOYSA-N
Compound name
1-benzyl-3-[2-(7-methoxynaphthalen-1-yl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

334.16812 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.175396 179.4
[M+Na]+ 357.157338 184.3
[M-H]- 333.160844 186.2
[M+NH4]+ 352.201943 193.1
[M+K]+ 373.131278 179.3
[M+H-H2O]+ 317.165380 170.0
[M+HCOO]- 379.166321 202.7
[M+CH3COO]- 393.181971 215.7
[M+Na-2H]- 355.142786 185.2
[M]+ 334.16757142 180.2
[M]- 334.16866858 180.2
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