CID 146422

18106-97-3

Structural Information

Molecular Formula
C7H7N7
SMILES
C1=CN=C(C=N1)C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C7H7N7/c8-6-12-5(13-7(9)14-6)4-3-10-1-2-11-4/h1-3H,(H4,8,9,12,13,14)
InChIKey
NBTPDJCUHITSDX-UHFFFAOYSA-N
Compound name
6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

189.0763 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08358 141.5
[M+Na]+ 212.06552 151.8
[M-H]- 188.06902 141.6
[M+NH4]+ 207.11012 153.3
[M+K]+ 228.03946 146.9
[M+H-H2O]+ 172.07356 131.4
[M+HCOO]- 234.07450 162.2
[M+CH3COO]- 248.09015 153.0
[M+Na-2H]- 210.05097 151.1
[M]+ 189.07575 138.2
[M]- 189.07685 138.2
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

patents stripe