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

104
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

literature stripe

Patent stripe

patents stripe