CID 147936

4,4'-(1,2-ethanediyldiimino)bis(3-aminobenzenecarboximidamide)

Structural Information

Molecular Formula
C16H22N8
SMILES
C1=CC(=C(C=C1C(=N)N)N)NCCNC2=C(C=C(C=C2)C(=N)N)N
InChI
InChI=1S/C16H22N8/c17-11-7-9(15(19)20)1-3-13(11)23-5-6-24-14-4-2-10(16(21)22)8-12(14)18/h1-4,7-8,23-24H,5-6,17-18H2,(H3,19,20)(H3,21,22)
InChIKey
LQPHSHHYSWTSII-UHFFFAOYSA-N
Compound name
3-amino-4-[2-(2-amino-4-carbamimidoylanilino)ethylamino]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

326.19675 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20403 173.8
[M+Na]+ 349.18597 176.9
[M-H]- 325.18947 179.2
[M+NH4]+ 344.23057 184.3
[M+K]+ 365.15991 173.0
[M+H-H2O]+ 309.19401 164.2
[M+HCOO]- 371.19495 201.0
[M+CH3COO]- 385.21060 233.9
[M+Na-2H]- 347.17142 175.0
[M]+ 326.19620 163.7
[M]- 326.19730 163.7
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

No patent data available for this compound.