CID 115983

2,4,6-tris(diethylaminoethylamino)-1,3,5-triazine trihydrochloride

Structural Information

Molecular Formula
C21H45N9
SMILES
CCN(CC)CCNC1=NC(=NC(=N1)NCCN(CC)CC)NCCN(CC)CC
InChI
InChI=1S/C21H45N9/c1-7-28(8-2)16-13-22-19-25-20(23-14-17-29(9-3)10-4)27-21(26-19)24-15-18-30(11-5)12-6/h7-18H2,1-6H3,(H3,22,23,24,25,26,27)
InChIKey
QAADFMSZNUQFFO-UHFFFAOYSA-N
Compound name
2-N,4-N,6-N-tris[2-(diethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.3798 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.38708 210.4
[M+Na]+ 446.36902 209.9
[M-H]- 422.37252 212.7
[M+NH4]+ 441.41362 217.0
[M+K]+ 462.34296 209.3
[M+H-H2O]+ 406.37706 197.4
[M+HCOO]- 468.37800 234.6
[M+CH3COO]- 482.39365 257.4
[M+Na-2H]- 444.35447 212.3
[M]+ 423.37925 216.3
[M]- 423.38035 216.3
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

patents stripe