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]+ 256.18083 161.0
[M+Na]+ 278.16277 165.8
[M-H]- 254.16627 166.5
[M+NH4]+ 273.20737 176.5
[M+K]+ 294.13671 161.2
[M+H-H2O]+ 238.17081 152.8
[M+HCOO]- 300.17175 185.5
[M+CH3COO]- 314.18740 205.0
[M+Na-2H]- 276.14822 164.4
[M]+ 255.17300 156.9
[M]- 255.17410 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.