CID 9570243

1-(p-chlorophenyl)-5-isopropyl-5-methylbiguanide monoacetate

Structural Information

Molecular Formula
C12H18ClN5
SMILES
CC(C)N(C)/C(=N/C(=NC1=CC=C(C=C1)Cl)N)/N
InChI
InChI=1S/C12H18ClN5/c1-8(2)18(3)12(15)17-11(14)16-10-6-4-9(13)5-7-10/h4-8H,1-3H3,(H4,14,15,16,17)
InChIKey
IYKZUFRAGXKUSP-UHFFFAOYSA-N
Compound name
2-[N'-(4-chlorophenyl)carbamimidoyl]-1-methyl-1-propan-2-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12506 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13234 164.5
[M+Na]+ 290.11428 172.3
[M+NH4]+ 285.15888 171.5
[M+K]+ 306.08822 167.3
[M-H]- 266.11778 168.7
[M+Na-2H]- 288.09973 169.6
[M]+ 267.12451 166.6
[M]- 267.12561 166.6
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

No patent data available for this compound.