CID 34849

4-amino-n-(2-(4-(4-pyridinyl)-1-piperazinyl)ethyl)benzamide dihydrate

Structural Information

Molecular Formula
C18H21N5O
SMILES
C1CN=CC=C1[N+]2=CC=[N+](C=C2)CCNC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C18H20N5O/c19-16-3-1-15(2-4-16)18(24)21-9-10-22-11-13-23(14-12-22)17-5-7-20-8-6-17/h1-5,7,11-14H,6,8-10H2,(H2-,19,21,24)/q+1/p+1
InChIKey
IZFGMNSTCPGBBK-UHFFFAOYSA-O
Compound name
4-amino-N-[2-[4-(2,3-dihydropyridin-4-yl)pyrazine-1,4-diium-1-yl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17462 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.18190 173.3
[M+Na]+ 346.16384 190.7
[M+NH4]+ 341.20844 181.9
[M+K]+ 362.13778 184.5
[M-H]- 322.16734 182.2
[M+Na-2H]- 344.14929 185.3
[M]+ 323.17407 178.8
[M]- 323.17517 178.8
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.