CID 45048935

19438-85-8

Structural Information

Molecular Formula
C10H14N10
SMILES
C1CC([C@@H]1C2=NC(=NC(=N2)N)N)C3=NC(=NC(=N3)N)N
InChI
InChI=1S/C10H14N10/c11-7-15-5(16-8(12)19-7)3-1-2-4(3)6-17-9(13)20-10(14)18-6/h3-4H,1-2H2,(H4,11,12,15,16,19)(H4,13,14,17,18,20)/t3-,4?/m1/s1
InChIKey
WJMJAVJXAOBTAX-SYPWQXSBSA-N
Compound name
6-[(2R)-2-(4,6-diamino-1,3,5-triazin-2-yl)cyclobutyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1403 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14758 176.1
[M+Na]+ 297.12952 183.7
[M-H]- 273.13302 177.1
[M+NH4]+ 292.17412 176.2
[M+K]+ 313.10346 181.0
[M+H-H2O]+ 257.13756 157.8
[M+HCOO]- 319.13850 192.7
[M+CH3COO]- 333.15415 183.4
[M+Na-2H]- 295.11497 179.2
[M]+ 274.13975 177.7
[M]- 274.14085 177.7
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

No patent data available for this compound.