CID 4351126

N,n'-bis(2-aminophenyl)-1,3-propanediamine

Structural Information

Molecular Formula
C15H20N4
SMILES
C1=CC=C(C(=C1)N)NCCCNC2=CC=CC=C2N
InChI
InChI=1S/C15H20N4/c16-12-6-1-3-8-14(12)18-10-5-11-19-15-9-4-2-7-13(15)17/h1-4,6-9,18-19H,5,10-11,16-17H2
InChIKey
PZJKDHMCBCKWGI-UHFFFAOYSA-N
Compound name
2-N-[3-(2-aminoanilino)propyl]benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

256.1688 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17608 157.4
[M+Na]+ 279.15802 162.2
[M-H]- 255.16152 163.0
[M+NH4]+ 274.20262 172.5
[M+K]+ 295.13196 157.3
[M+H-H2O]+ 239.16606 148.9
[M+HCOO]- 301.16700 184.3
[M+CH3COO]- 315.18265 206.4
[M+Na-2H]- 277.14347 163.2
[M]+ 256.16825 153.0
[M]- 256.16935 153.0
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

No patent data available for this compound.