CID 3013120

Chembl535663

Structural Information

Molecular Formula
C20H26N6
SMILES
CN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NC)N)N
InChI
InChI=1S/C20H26N6/c1-23-19(21)15-3-7-17(8-4-15)25-11-13-26(14-12-25)18-9-5-16(6-10-18)20(22)24-2/h3-10H,11-14H2,1-2H3,(H2,21,23)(H2,22,24)
InChIKey
OGRCWLUJCGXAOS-UHFFFAOYSA-N
Compound name
N'-methyl-4-[4-[4-(N'-methylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

350.2219 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.22918 186.4
[M+Na]+ 373.21112 189.1
[M-H]- 349.21462 194.1
[M+NH4]+ 368.25572 195.7
[M+K]+ 389.18506 184.3
[M+H-H2O]+ 333.21916 174.5
[M+HCOO]- 395.22010 207.4
[M+CH3COO]- 409.23575 228.6
[M+Na-2H]- 371.19657 187.7
[M]+ 350.22135 179.3
[M]- 350.22245 179.3
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.