CID 516374

Xyleneylene bis-biguanide

Structural Information

Molecular Formula
C12H20N10
SMILES
C1=CC(=CC=C1CN=C(N)N=C(N)N)CN=C(N)N=C(N)N
InChI
InChI=1S/C12H20N10/c13-9(14)21-11(17)19-5-7-1-2-8(4-3-7)6-20-12(18)22-10(15)16/h1-4H,5-6H2,(H6,13,14,17,19,21)(H6,15,16,18,20,22)
InChIKey
LCDJPAQJYUKKPB-UHFFFAOYSA-N
Compound name
2-[[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]phenyl]methyl]-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

304.18726 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.19454 167.1
[M+Na]+ 327.17648 168.4
[M-H]- 303.17998 173.2
[M+NH4]+ 322.22108 179.5
[M+K]+ 343.15042 169.3
[M+H-H2O]+ 287.18452 156.1
[M+HCOO]- 349.18546 198.8
[M+CH3COO]- 363.20111 237.0
[M+Na-2H]- 325.16193 167.6
[M]+ 304.18671 157.2
[M]- 304.18781 157.2
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.