CID 390607

Nsc688136

Structural Information

Molecular Formula
C19H28N8
SMILES
CN(C)C1=CC(=NC(=C1)CNCCC2=CN=CN2)CNCCC3=CN=CN3
InChI
InChI=1S/C19H28N8/c1-27(2)19-7-17(11-20-5-3-15-9-22-13-24-15)26-18(8-19)12-21-6-4-16-10-23-14-25-16/h7-10,13-14,20-21H,3-6,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKey
UPFRWWQVKOWKFO-UHFFFAOYSA-N
Compound name
2,6-bis[[2-(1H-imidazol-5-yl)ethylamino]methyl]-N,N-dimethylpyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.24368 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.25096 182.9
[M+Na]+ 391.23290 187.6
[M-H]- 367.23640 185.9
[M+NH4]+ 386.27750 190.2
[M+K]+ 407.20684 181.4
[M+H-H2O]+ 351.24094 170.5
[M+HCOO]- 413.24188 204.1
[M+CH3COO]- 427.25753 190.8
[M+Na-2H]- 389.21835 186.2
[M]+ 368.24313 183.3
[M]- 368.24423 183.3
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.