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

26
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 151.8
[M+Na]+ 251.12672 159.5
[M-H]- 227.13022 157.6
[M+NH4]+ 246.17132 168.2
[M+K]+ 267.10066 154.5
[M+H-H2O]+ 211.13476 144.2
[M+HCOO]- 273.13570 178.0
[M+CH3COO]- 287.15135 201.9
[M+Na-2H]- 249.11217 154.9
[M]+ 228.13695 145.6
[M]- 228.13805 145.6
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