CID 117970

Benzenediamine, ar,ar'-methylenebis-

Structural Information

Molecular Formula
C13H16N4
SMILES
C1=CC(=C(C=C1N)N)CC2=C(C=C(C=C2)N)N
InChI
InChI=1S/C13H16N4/c14-10-3-1-8(12(16)6-10)5-9-2-4-11(15)7-13(9)17/h1-4,6-7H,5,14-17H2
InChIKey
RKCNIFKTLODQRK-UHFFFAOYSA-N
Compound name
4-[(2,4-diaminophenyl)methyl]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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

literature stripe

Patent stripe

patents stripe