CID 116515

4,4'-bis(amidinomethyl)bibenzyl dihydrochloride

Structural Information

Molecular Formula
C18H22N4
SMILES
C1=CC(=CC=C1CCC2=CC=C(C=C2)CC(=N)N)CC(=N)N
InChI
InChI=1S/C18H22N4/c19-17(20)11-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)12-18(21)22/h3-10H,1-2,11-12H2,(H3,19,20)(H3,21,22)
InChIKey
YOMBTQBWIHFELL-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

294.18445 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.19173 171.7
[M+Na]+ 317.17367 175.1
[M-H]- 293.17717 176.9
[M+NH4]+ 312.21827 184.9
[M+K]+ 333.14761 169.6
[M+H-H2O]+ 277.18171 162.9
[M+HCOO]- 339.18265 195.8
[M+CH3COO]- 353.19830 215.7
[M+Na-2H]- 315.15912 173.3
[M]+ 294.18390 165.6
[M]- 294.18500 165.6
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

patents stripe