CID 30936

Tk 474

Structural Information

Molecular Formula
C17H23N3
SMILES
CN(C)CCC(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H23N3/c1-20(2)12-11-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-10,17H,11-12,18-19H2,1-2H3
InChIKey
RTTHPWSOBOYXNR-UHFFFAOYSA-N
Compound name
4-[1-(4-aminophenyl)-3-(dimethylamino)propyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

269.1892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.19648 166.6
[M+Na]+ 292.17842 171.1
[M-H]- 268.18192 173.4
[M+NH4]+ 287.22302 182.1
[M+K]+ 308.15236 167.7
[M+H-H2O]+ 252.18646 157.9
[M+HCOO]- 314.18740 191.2
[M+CH3COO]- 328.20305 211.3
[M+Na-2H]- 290.16387 168.6
[M]+ 269.18865 164.0
[M]- 269.18975 164.0
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

patents stripe