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

27
Patents

228.1375 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.144776 151.8
[M+Na]+ 251.126718 159.5
[M-H]- 227.130224 157.6
[M+NH4]+ 246.171323 168.2
[M+K]+ 267.100658 154.5
[M+H-H2O]+ 211.134760 144.2
[M+HCOO]- 273.135701 178.0
[M+CH3COO]- 287.151351 201.9
[M+Na-2H]- 249.112166 154.9
[M]+ 228.13695142 145.6
[M]- 228.13804858 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