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

54
Patents

205.10759 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11487 144.4
[M+Na]+ 228.09681 153.6
[M-H]- 204.10031 143.4
[M+NH4]+ 223.14141 156.8
[M+K]+ 244.07075 148.5
[M+H-H2O]+ 188.10485 134.4
[M+HCOO]- 250.10579 164.3
[M+CH3COO]- 264.12144 155.2
[M+Na-2H]- 226.08226 150.3
[M]+ 205.10704 140.5
[M]- 205.10814 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