CID 3070507

Brn 5622488

Structural Information

Molecular Formula
C18H23N5O
SMILES
C1CN(CCN1CCC(=O)NC2=CC=CC=C2N)C3=CC=CC=N3
InChI
InChI=1S/C18H23N5O/c19-15-5-1-2-6-16(15)21-18(24)8-10-22-11-13-23(14-12-22)17-7-3-4-9-20-17/h1-7,9H,8,10-14,19H2,(H,21,24)
InChIKey
WTRZHMOEKZFPLO-UHFFFAOYSA-N
Compound name
N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.19025 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.197526 178.4
[M+Na]+ 348.179468 181.5
[M-H]- 324.182974 182.3
[M+NH4]+ 343.224073 186.4
[M+K]+ 364.153408 175.9
[M+H-H2O]+ 308.187510 166.4
[M+HCOO]- 370.188451 195.2
[M+CH3COO]- 384.204101 186.0
[M+Na-2H]- 346.164916 181.7
[M]+ 325.18970142 171.9
[M]- 325.19079858 171.9
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.