CID 210582

21312-45-8

Structural Information

Molecular Formula
C14H21N3O
SMILES
CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H21N3O/c1-2-7-16-8-10-17(11-9-16)14(18)12-3-5-13(15)6-4-12/h3-6H,2,7-11,15H2,1H3
InChIKey
GJQWVQSWBZFULS-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-(4-propylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 160.5
[M+Na]+ 270.15768 165.1
[M-H]- 246.16118 163.0
[M+NH4]+ 265.20228 174.3
[M+K]+ 286.13162 161.5
[M+H-H2O]+ 230.16572 151.3
[M+HCOO]- 292.16666 177.7
[M+CH3COO]- 306.18231 196.3
[M+Na-2H]- 268.14313 162.3
[M]+ 247.16791 155.4
[M]- 247.16901 155.4
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.