CID 293455

Urea, 1-(3-bromopropyl)-3-(5,6,7,8-tetrahydro-1-naphthyl)-

Structural Information

Molecular Formula
C14H19BrN2O
SMILES
C1CCC2=C(C1)C=CC=C2NC(=O)NCCCBr
InChI
InChI=1S/C14H19BrN2O/c15-9-4-10-16-14(18)17-13-8-3-6-11-5-1-2-7-12(11)13/h3,6,8H,1-2,4-5,7,9-10H2,(H2,16,17,18)
InChIKey
CAOLIFMNOYZOGB-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.06808 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07536 165.0
[M+Na]+ 333.05730 171.6
[M-H]- 309.06080 170.5
[M+NH4]+ 328.10190 183.4
[M+K]+ 349.03124 159.5
[M+H-H2O]+ 293.06534 163.1
[M+HCOO]- 355.06628 183.6
[M+CH3COO]- 369.08193 205.1
[M+Na-2H]- 331.04275 171.1
[M]+ 310.06753 179.9
[M]- 310.06863 179.9
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.