CID 489441

1-[pyrrolyl-2-carbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C17H23N5O
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC=CN3
InChI
InChI=1S/C17H23N5O/c1-13(2)20-14-5-3-8-19-16(14)21-9-11-22(12-10-21)17(23)15-6-4-7-18-15/h3-8,13,18,20H,9-12H2,1-2H3
InChIKey
CKTMLODOUGXXIU-UHFFFAOYSA-N
Compound name
[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.19025 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.19753 175.9
[M+Na]+ 336.17947 179.5
[M-H]- 312.18297 178.3
[M+NH4]+ 331.22407 185.0
[M+K]+ 352.15341 174.4
[M+H-H2O]+ 296.18751 164.6
[M+HCOO]- 358.18845 189.7
[M+CH3COO]- 372.20410 183.6
[M+Na-2H]- 334.16492 175.6
[M]+ 313.18970 169.7
[M]- 313.19080 169.7
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.