CID 137321714

Carbantel lauryl

Structural Information

Molecular Formula
C12H16ClN3O
SMILES
CCCCC(=N)NC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H16ClN3O/c1-2-3-4-11(14)16-12(17)15-10-7-5-9(13)6-8-10/h5-8H,2-4H2,1H3,(H3,14,15,16,17)
InChIKey
OTUXXGKHASJXNK-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-pentanimidoylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

253.09819 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10547 159.4
[M+Na]+ 276.08741 164.9
[M-H]- 252.09091 162.6
[M+NH4]+ 271.13201 176.4
[M+K]+ 292.06135 160.4
[M+H-H2O]+ 236.09545 153.2
[M+HCOO]- 298.09639 180.1
[M+CH3COO]- 312.11204 200.2
[M+Na-2H]- 274.07286 162.9
[M]+ 253.09764 159.1
[M]- 253.09874 159.1
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.