CID 2811397

690626-19-8

Structural Information

Molecular Formula
C19H23N5O3
SMILES
C1CN(CCN1CCNC(=O)C2=NC=CN=C2C(=O)O)CC3=CC=CC=C3
InChI
InChI=1S/C19H23N5O3/c25-18(16-17(19(26)27)21-7-6-20-16)22-8-9-23-10-12-24(13-11-23)14-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,22,25)(H,26,27)
InChIKey
NJIDZOZYJQNASA-UHFFFAOYSA-N
Compound name
3-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

369.18008 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.187356 188.1
[M+Na]+ 392.169298 190.7
[M-H]- 368.172804 189.7
[M+NH4]+ 387.213903 192.4
[M+K]+ 408.143238 185.4
[M+H-H2O]+ 352.177340 175.5
[M+HCOO]- 414.178281 200.7
[M+CH3COO]- 428.193931 215.7
[M+Na-2H]- 390.154746 190.0
[M]+ 369.17953142 183.6
[M]- 369.18062858 183.6
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.