CID 58398

1,10-bis(p-chlorophenylbiguanidyl)decane diacetate

Structural Information

Molecular Formula
C26H38Cl2N10
SMILES
C1=CC(=CC=C1NC(=NC(=NCCCCCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl
InChI
InChI=1S/C26H38Cl2N10/c27-19-9-13-21(14-10-19)35-25(31)37-23(29)33-17-7-5-3-1-2-4-6-8-18-34-24(30)38-26(32)36-22-15-11-20(28)12-16-22/h9-16H,1-8,17-18H2,(H5,29,31,33,35,37)(H5,30,32,34,36,38)
InChIKey
UUYDNJQLQZIMCI-UHFFFAOYSA-N
Compound name
2-[10-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]decyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.2658 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.27308 244.1
[M+Na]+ 583.25502 242.9
[M-H]- 559.25852 251.3
[M+NH4]+ 578.29962 248.7
[M+K]+ 599.22896 238.3
[M+H-H2O]+ 543.26306 233.1
[M+HCOO]- 605.26400 265.0
[M+CH3COO]- 619.27965 279.1
[M+Na-2H]- 581.24047 240.7
[M]+ 560.26525 243.4
[M]- 560.26635 243.4
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.