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 177.3
[M+Na]+ 327.15130 186.2
[M-H]- 303.15480 176.7
[M+NH4]+ 322.19590 179.7
[M+K]+ 343.12524 178.4
[M+H-H2O]+ 287.15934 165.3
[M+HCOO]- 349.16028 190.9
[M+CH3COO]- 363.17593 184.0
[M+Na-2H]- 325.13675 182.5
[M]+ 304.16153 168.7
[M]- 304.16263 168.7
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