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

70
Patents

247.16846 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.175736 159.2
[M+Na]+ 270.157678 163.0
[M-H]- 246.161184 164.6
[M+NH4]+ 265.202283 174.6
[M+K]+ 286.131618 161.1
[M+H-H2O]+ 230.165720 150.5
[M+HCOO]- 292.166661 179.3
[M+CH3COO]- 306.182311 202.1
[M+Na-2H]- 268.143126 160.7
[M]+ 247.16791142 154.1
[M]- 247.16900858 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