CID 28680

Tk 174 acetate

Structural Information

Molecular Formula
C17H21N3O
SMILES
CC(=O)NC(CCC1=CC=C(C=C1)N)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H21N3O/c1-12(21)20-17(14-5-9-16(19)10-6-14)11-4-13-2-7-15(18)8-3-13/h2-3,5-10,17H,4,11,18-19H2,1H3,(H,20,21)
InChIKey
RHNCZCKFXXVROF-UHFFFAOYSA-N
Compound name
N-[1,3-bis(4-aminophenyl)propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 168.8
[M+Na]+ 306.15768 173.1
[M-H]- 282.16118 174.3
[M+NH4]+ 301.20228 182.9
[M+K]+ 322.13162 168.9
[M+H-H2O]+ 266.16572 160.3
[M+HCOO]- 328.16666 192.4
[M+CH3COO]- 342.18231 209.6
[M+Na-2H]- 304.14313 170.4
[M]+ 283.16791 165.0
[M]- 283.16901 165.0
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.