CID 30937

Tk 486

Structural Information

Molecular Formula
C22H25N3
SMILES
C1=CC=C(C=C1)CNCCC(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
InChI
InChI=1S/C22H25N3/c23-20-10-6-18(7-11-20)22(19-8-12-21(24)13-9-19)14-15-25-16-17-4-2-1-3-5-17/h1-13,22,25H,14-16,23-24H2
InChIKey
WMROBZVOJIHZQS-UHFFFAOYSA-N
Compound name
4-[1-(4-aminophenyl)-3-(benzylamino)propyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.20483 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.21211 180.5
[M+Na]+ 354.19405 184.0
[M-H]- 330.19755 188.4
[M+NH4]+ 349.23865 192.2
[M+K]+ 370.16799 177.4
[M+H-H2O]+ 314.20209 170.6
[M+HCOO]- 376.20303 204.2
[M+CH3COO]- 390.21868 189.6
[M+Na-2H]- 352.17950 183.7
[M]+ 331.20428 176.0
[M]- 331.20538 176.0
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.