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]+ 284.175736 168.8
[M+Na]+ 306.157678 173.1
[M-H]- 282.161184 174.3
[M+NH4]+ 301.202283 182.9
[M+K]+ 322.131618 168.9
[M+H-H2O]+ 266.165720 160.3
[M+HCOO]- 328.166661 192.4
[M+CH3COO]- 342.182311 209.6
[M+Na-2H]- 304.143126 170.4
[M]+ 283.16791142 165.0
[M]- 283.16900858 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.