CID 198092

30194-63-9

Structural Information

Molecular Formula
C18H23N5O
SMILES
C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)N)C3=CC=CC=N3
InChI
InChI=1S/C18H23N5O/c19-16-6-4-15(5-7-16)18(24)21-9-10-22-11-13-23(14-12-22)17-3-1-2-8-20-17/h1-8H,9-14,19H2,(H,21,24)
InChIKey
XAMHDWYQQBLUBL-UHFFFAOYSA-N
Compound name
4-amino-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

325.19025 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe