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)pyridin-2-yl]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]+ 300.18190 171.6
[M+Na]+ 322.16384 176.0
[M-H]- 298.16734 174.0
[M+NH4]+ 317.20844 181.3
[M+K]+ 338.13778 170.5
[M+H-H2O]+ 282.17188 160.2
[M+HCOO]- 344.17282 186.7
[M+CH3COO]- 358.18847 179.8
[M+Na-2H]- 320.14929 172.9
[M]+ 299.17407 165.7
[M]- 299.17517 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.