CID 3025309

3-(2-bromoethyl)-1-(4-ethoxy-1-napthylmethyl)urea

Structural Information

Molecular Formula
C16H19BrN2O2
SMILES
CCOC1=CC=C(C2=CC=CC=C21)CNC(=O)NCCBr
InChI
InChI=1S/C16H19BrN2O2/c1-2-21-15-8-7-12(11-19-16(20)18-10-9-17)13-5-3-4-6-14(13)15/h3-8H,2,9-11H2,1H3,(H2,18,19,20)
InChIKey
IIYZJZXQNAJKMF-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-[(4-ethoxynaphthalen-1-yl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.063 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07028 173.7
[M+Na]+ 373.05222 182.0
[M-H]- 349.05572 179.8
[M+NH4]+ 368.09682 190.9
[M+K]+ 389.02616 169.8
[M+H-H2O]+ 333.06026 171.2
[M+HCOO]- 395.06120 194.5
[M+CH3COO]- 409.07685 213.1
[M+Na-2H]- 371.03767 179.9
[M]+ 350.06245 193.6
[M]- 350.06355 193.6
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.