CID 399406

Chembl322698

Structural Information

Molecular Formula
C16H12N6O
SMILES
C1=CC=C2C(=C1)N=C(C3=CC=CN23)NNC(=O)C4=NC=CN=C4
InChI
InChI=1S/C16H12N6O/c23-16(12-10-17-7-8-18-12)21-20-15-14-6-3-9-22(14)13-5-2-1-4-11(13)19-15/h1-10H,(H,19,20)(H,21,23)
InChIKey
MJLHALWWIZZOGJ-UHFFFAOYSA-N
Compound name
N'-pyrrolo[1,2-a]quinoxalin-4-ylpyrazine-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.10727 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11455 165.1
[M+Na]+ 327.09649 174.4
[M-H]- 303.09999 169.2
[M+NH4]+ 322.14109 177.3
[M+K]+ 343.07043 168.1
[M+H-H2O]+ 287.10453 154.2
[M+HCOO]- 349.10547 186.5
[M+CH3COO]- 363.12112 175.8
[M+Na-2H]- 325.08194 175.5
[M]+ 304.10672 166.2
[M]- 304.10782 166.2
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.