CID 293456

102433-44-3

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
CCC(CCl)NC(=O)NC1=CC=CC2=C1CCCC2
InChI
InChI=1S/C15H21ClN2O/c1-2-12(10-16)17-15(19)18-14-9-5-7-11-6-3-4-8-13(11)14/h5,7,9,12H,2-4,6,8,10H2,1H3,(H2,17,18,19)
InChIKey
ZXKURNTUXBXFMG-UHFFFAOYSA-N
Compound name
1-(1-chlorobutan-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.141526 165.5
[M+Na]+ 303.123468 169.5
[M-H]- 279.126974 168.5
[M+NH4]+ 298.168073 182.5
[M+K]+ 319.097408 164.8
[M+H-H2O]+ 263.131510 159.2
[M+HCOO]- 325.132451 181.0
[M+CH3COO]- 339.148101 203.8
[M+Na-2H]- 301.108916 168.8
[M]+ 280.13370142 163.9
[M]- 280.13479858 163.9
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.