CID 456157

Schembl3875680

Structural Information

Molecular Formula
C16H20N6
SMILES
C1=CC(=CC=C1C(=N)N)NCCNC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C16H20N6/c17-15(18)11-1-5-13(6-2-11)21-9-10-22-14-7-3-12(4-8-14)16(19)20/h1-8,21-22H,9-10H2,(H3,17,18)(H3,19,20)
InChIKey
XEJKYNUTJGTYGY-UHFFFAOYSA-N
Compound name
4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

296.17496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18224 167.1
[M+Na]+ 319.16418 169.7
[M-H]- 295.16768 172.6
[M+NH4]+ 314.20878 179.4
[M+K]+ 335.13812 165.3
[M+H-H2O]+ 279.17222 157.8
[M+HCOO]- 341.17316 193.8
[M+CH3COO]- 355.18881 220.7
[M+Na-2H]- 317.14963 170.8
[M]+ 296.17441 159.1
[M]- 296.17551 159.1
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