CID 3025317

1-(3-bromopropyl)-3-(1-naphthyl)urea

Structural Information

Molecular Formula
C14H15BrN2O
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)NCCCBr
InChI
InChI=1S/C14H15BrN2O/c15-9-4-10-16-14(18)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H2,16,17,18)
InChIKey
GHYDOJRPDHMLLI-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.03677 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04405 161.2
[M+Na]+ 329.02599 163.7
[M+NH4]+ 324.07059 166.0
[M+K]+ 344.99993 162.2
[M-H]- 305.02949 163.3
[M+Na-2H]- 327.01144 164.8
[M]+ 306.03622 160.8
[M]- 306.03732 160.8
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.