CID 455383

Bhap pyrryl pyridyl deriv.

Structural Information

Molecular Formula
C16H21N5O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC=CN3
InChI
InChI=1S/C16H21N5O/c1-2-17-13-5-3-8-19-15(13)20-9-11-21(12-10-20)16(22)14-6-4-7-18-14/h3-8,17-18H,2,9-12H2,1H3
InChIKey
RBDRHPVPXZRKHH-UHFFFAOYSA-N
Compound name
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.17462 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.181896 171.6
[M+Na]+ 322.163838 176.0
[M-H]- 298.167344 174.0
[M+NH4]+ 317.208443 181.3
[M+K]+ 338.137778 170.5
[M+H-H2O]+ 282.171880 160.2
[M+HCOO]- 344.172821 186.7
[M+CH3COO]- 358.188471 179.8
[M+Na-2H]- 320.149286 172.9
[M]+ 299.17407142 165.7
[M]- 299.17516858 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.