CID 28797

17826-44-7

Structural Information

Molecular Formula
C13H19Cl2N3
SMILES
CCCNC(=NCCC)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C13H19Cl2N3/c1-3-7-16-13(17-8-4-2)18-10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,17,18)
InChIKey
OFNMHUGWUXZCNZ-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-2,3-dipropylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0956 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10288 169.2
[M+Na]+ 310.08482 176.0
[M-H]- 286.08832 173.0
[M+NH4]+ 305.12942 186.5
[M+K]+ 326.05876 170.3
[M+H-H2O]+ 270.09286 163.6
[M+HCOO]- 332.09380 186.4
[M+CH3COO]- 346.10945 209.1
[M+Na-2H]- 308.07027 172.2
[M]+ 287.09505 172.6
[M]- 287.09615 172.6
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