CID 480183

Chembl9126

Structural Information

Molecular Formula
C18H22N6
SMILES
C1CN(CCN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C18H22N6/c19-17(20)13-1-5-15(6-2-13)23-9-11-24(12-10-23)16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
InChIKey
GFDIGDWACCJVOI-UHFFFAOYSA-N
Compound name
4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

12
Patents

322.19058 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19786 176.5
[M+Na]+ 345.17980 179.2
[M-H]- 321.18330 181.9
[M+NH4]+ 340.22440 185.4
[M+K]+ 361.15374 173.2
[M+H-H2O]+ 305.18784 165.7
[M+HCOO]- 367.18878 195.2
[M+CH3COO]- 381.20443 184.1
[M+Na-2H]- 343.16525 178.1
[M]+ 322.19003 165.4
[M]- 322.19113 165.4
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