CID 117703516

Ka2507

Structural Information

Molecular Formula
C16H14N6O2
SMILES
C1=CC(=CC=C1CN(C2=NC=CN=C2)C3=NC=CN=C3)C(=O)NO
InChI
InChI=1S/C16H14N6O2/c23-16(21-24)13-3-1-12(2-4-13)11-22(14-9-17-5-7-19-14)15-10-18-6-8-20-15/h1-10,24H,11H2,(H,21,23)
InChIKey
LXHMTDHBMRZSHJ-UHFFFAOYSA-N
Compound name
4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

93
Patents

322.11783 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12511 172.0
[M+Na]+ 345.10705 177.6
[M-H]- 321.11055 176.4
[M+NH4]+ 340.15165 178.8
[M+K]+ 361.08099 172.8
[M+H-H2O]+ 305.11509 159.6
[M+HCOO]- 367.11603 192.1
[M+CH3COO]- 381.13168 181.0
[M+Na-2H]- 343.09250 180.6
[M]+ 322.11728 170.8
[M]- 322.11838 170.8
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.