CID 21976074

6-[2-(1h-imidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C8H11N7
SMILES
C1=CN=C(N1)CCC2=NC(=NC(=N2)N)N
InChI
InChI=1S/C8H11N7/c9-7-13-6(14-8(10)15-7)2-1-5-11-3-4-12-5/h3-4H,1-2H2,(H,11,12)(H4,9,10,13,14,15)
InChIKey
PLLAQCBFZUTMHI-UHFFFAOYSA-N
Compound name
6-[2-(1H-imidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

205.10759 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.114866 144.4
[M+Na]+ 228.096808 153.6
[M-H]- 204.100314 143.4
[M+NH4]+ 223.141413 156.8
[M+K]+ 244.070748 148.5
[M+H-H2O]+ 188.104850 134.4
[M+HCOO]- 250.105791 164.3
[M+CH3COO]- 264.121441 155.2
[M+Na-2H]- 226.082256 150.3
[M]+ 205.10704142 140.5
[M]- 205.10813858 140.5
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