CID 3064776

5-isoquinolinesulfonamide, n-(2-((aminoiminomethyl)amino)ethyl)-1-chloro-

Structural Information

Molecular Formula
C12H14ClN5O2S
SMILES
C1=CC2=C(C=CN=C2Cl)C(=C1)S(=O)(=O)NCCN=C(N)N
InChI
InChI=1S/C12H14ClN5O2S/c13-11-9-2-1-3-10(8(9)4-5-16-11)21(19,20)18-7-6-17-12(14)15/h1-5,18H,6-7H2,(H4,14,15,17)
InChIKey
VHELGNICRNEAEG-UHFFFAOYSA-N
Compound name
2-[2-[(1-chloroisoquinolin-5-yl)sulfonylamino]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

327.05566 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.06294 168.6
[M+Na]+ 350.04488 176.3
[M-H]- 326.04838 172.2
[M+NH4]+ 345.08948 182.7
[M+K]+ 366.01882 170.6
[M+H-H2O]+ 310.05292 161.8
[M+HCOO]- 372.05386 183.5
[M+CH3COO]- 386.06951 214.2
[M+Na-2H]- 348.03033 174.6
[M]+ 327.05511 170.5
[M]- 327.05621 170.5
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