CID 57340959

Gal-021

Structural Information

Molecular Formula
C11H22N6O
SMILES
CCCNC1=NC(=NC(=N1)N(C)OC)NCCC
InChI
InChI=1S/C11H22N6O/c1-5-7-12-9-14-10(13-8-6-2)16-11(15-9)17(3)18-4/h5-8H2,1-4H3,(H2,12,13,14,15,16)
InChIKey
FJNLCHNQVJVCPY-UHFFFAOYSA-N
Compound name
2-N-methoxy-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1826
Patents

254.18552 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.192796 161.1
[M+Na]+ 277.174738 167.1
[M-H]- 253.178244 162.0
[M+NH4]+ 272.219343 174.2
[M+K]+ 293.148678 165.8
[M+H-H2O]+ 237.182780 151.1
[M+HCOO]- 299.183721 184.8
[M+CH3COO]- 313.199371 208.2
[M+Na-2H]- 275.160186 167.5
[M]+ 254.18497142 164.4
[M]- 254.18606858 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe