CID 200042

Brn 0350858

Structural Information

Molecular Formula
C10H16N12
SMILES
C1CN(CCN1C2=NC(=NC(=N2)N)N)C3=NC(=NC(=N3)N)N
InChI
InChI=1S/C10H16N12/c11-5-15-6(12)18-9(17-5)21-1-2-22(4-3-21)10-19-7(13)16-8(14)20-10/h1-4H2,(H4,11,12,15,17,18)(H4,13,14,16,19,20)
InChIKey
QVUZDSMDYKVRTK-UHFFFAOYSA-N
Compound name
6-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

304.16208 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16936 165.5
[M+Na]+ 327.15130 176.0
[M+NH4]+ 322.19590 168.3
[M+K]+ 343.12524 173.8
[M-H]- 303.15480 167.9
[M+Na-2H]- 325.13675 171.8
[M]+ 304.16153 167.0
[M]- 304.16263 167.0
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

patents stripe