CID 227282

4,4'-diguanidinobiphenyl

Structural Information

Molecular Formula
C14H16N6
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N=C(N)N)N=C(N)N
InChI
InChI=1S/C14H16N6/c15-13(16)19-11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-14(17)18/h1-8H,(H4,15,16,19)(H4,17,18,20)
InChIKey
BQKNONCLLPZFQK-UHFFFAOYSA-N
Compound name
2-[4-[4-(diaminomethylideneamino)phenyl]phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

268.14365 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15093 160.4
[M+Na]+ 291.13287 165.0
[M-H]- 267.13637 168.2
[M+NH4]+ 286.17747 175.0
[M+K]+ 307.10681 161.9
[M+H-H2O]+ 251.14091 151.1
[M+HCOO]- 313.14185 189.6
[M+CH3COO]- 327.15750 216.8
[M+Na-2H]- 289.11832 163.9
[M]+ 268.14310 153.3
[M]- 268.14420 153.3
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