CID 89592

Sa 83

Structural Information

Molecular Formula
C16H21N3
SMILES
CNCCC(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N
InChI
InChI=1S/C16H21N3/c1-19-11-10-16(12-2-6-14(17)7-3-12)13-4-8-15(18)9-5-13/h2-9,16,19H,10-11,17-18H2,1H3
InChIKey
VQYGGBMTMQOQMC-UHFFFAOYSA-N
Compound name
4-[1-(4-aminophenyl)-3-(methylamino)propyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.17355 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.180826 161.0
[M+Na]+ 278.162768 165.8
[M-H]- 254.166274 166.5
[M+NH4]+ 273.207373 176.5
[M+K]+ 294.136708 161.2
[M+H-H2O]+ 238.170810 152.8
[M+HCOO]- 300.171751 185.5
[M+CH3COO]- 314.187401 205.0
[M+Na-2H]- 276.148216 164.4
[M]+ 255.17300142 156.9
[M]- 255.17409858 156.9
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.