CID 15006

Copper(2+), bis(1-benzylbiguanide)-, sulfate

Structural Information

Molecular Formula
C9H13N5
SMILES
C1=CC=C(C=C1)CN=C(N)N=C(N)N
InChI
InChI=1S/C9H13N5/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H6,10,11,12,13,14)
InChIKey
IBWXAMPUVRBFIS-UHFFFAOYSA-N
Compound name
2-benzyl-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

270
Patents

191.1171 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.12438 143.6
[M+Na]+ 214.10632 150.6
[M+NH4]+ 209.15092 150.5
[M+K]+ 230.08026 146.1
[M-H]- 190.10982 147.6
[M+Na-2H]- 212.09177 149.3
[M]+ 191.11655 145.0
[M]- 191.11765 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe