CID 22567534

50534-08-2

Structural Information

Molecular Formula
C14H21N3O
SMILES
CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H21N3O/c1-16(2)13-7-9-17(10-8-13)14(18)11-3-5-12(15)6-4-11/h3-6,13H,7-10,15H2,1-2H3
InChIKey
ZZZGWXZXEDIVEW-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

247.16846 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 159.2
[M+Na]+ 270.15768 163.0
[M-H]- 246.16118 164.6
[M+NH4]+ 265.20228 174.6
[M+K]+ 286.13162 161.1
[M+H-H2O]+ 230.16572 150.5
[M+HCOO]- 292.16666 179.3
[M+CH3COO]- 306.18231 202.1
[M+Na-2H]- 268.14313 160.7
[M]+ 247.16791 154.1
[M]- 247.16901 154.1
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