CID 78336

4588-69-6

Structural Information

Molecular Formula
C17H25N5O4
SMILES
COCN(COC)C1=NC(=NC(=N1)C2=CC=CC=C2)N(COC)COC
InChI
InChI=1S/C17H25N5O4/c1-23-10-21(11-24-2)16-18-15(14-8-6-5-7-9-14)19-17(20-16)22(12-25-3)13-26-4/h5-9H,10-13H2,1-4H3
InChIKey
YURHRQDCAMOWFM-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

363.19064 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.197916 185.2
[M+Na]+ 386.179858 190.1
[M-H]- 362.183364 190.1
[M+NH4]+ 381.224463 193.8
[M+K]+ 402.153798 189.9
[M+H-H2O]+ 346.187900 172.8
[M+HCOO]- 408.188841 208.2
[M+CH3COO]- 422.204491 226.1
[M+Na-2H]- 384.165306 190.3
[M]+ 363.19009142 194.1
[M]- 363.19118858 194.1
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