CID 3060906

C 3245

Structural Information

Molecular Formula
C19H32ClN3O
SMILES
CCCCN(CCCC)CCCNC(=O)NC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C19H32ClN3O/c1-4-6-13-23(14-7-5-2)15-9-12-21-19(24)22-18-16(3)10-8-11-17(18)20/h8,10-11H,4-7,9,12-15H2,1-3H3,(H2,21,22,24)
InChIKey
LKAFVKSWSAMDEU-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylphenyl)-3-[3-(dibutylamino)propyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.2234 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.23068 192.1
[M+Na]+ 376.21262 195.6
[M-H]- 352.21612 195.7
[M+NH4]+ 371.25722 206.1
[M+K]+ 392.18656 191.0
[M+H-H2O]+ 336.22066 184.3
[M+HCOO]- 398.22160 211.8
[M+CH3COO]- 412.23725 226.3
[M+Na-2H]- 374.19807 191.7
[M]+ 353.22285 197.5
[M]- 353.22395 197.5
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

patents stripe