CID 116821

3,3',5,5'-tetraaminodiphenylmethane

Structural Information

Molecular Formula
C13H16N4
SMILES
C1=C(C=C(C=C1N)N)CC2=CC(=CC(=C2)N)N
InChI
InChI=1S/C13H16N4/c14-10-2-8(3-11(15)6-10)1-9-4-12(16)7-13(17)5-9/h2-7H,1,14-17H2
InChIKey
OZQFIEUIUYZRSI-UHFFFAOYSA-N
Compound name
5-[(3,5-diaminophenyl)methyl]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

228.1375 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14478 152.9
[M+Na]+ 251.12672 164.1
[M+NH4]+ 246.17132 160.9
[M+K]+ 267.10066 157.9
[M-H]- 227.13022 159.5
[M+Na-2H]- 249.11217 160.6
[M]+ 228.13695 156.1
[M]- 228.13805 156.1
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