CID 156601177

Hmmm tp353

Structural Information

Molecular Formula
C12H22N6O5
SMILES
COCN(COC)C1=NC(=NC(=N1)NC=O)N(COC)COC
InChI
InChI=1S/C12H22N6O5/c1-20-6-17(7-21-2)11-14-10(13-5-19)15-12(16-11)18(8-22-3)9-23-4/h5H,6-9H2,1-4H3,(H,13,14,15,16,19)
InChIKey
TXFCZCYWLIIXLR-UHFFFAOYSA-N
Compound name
N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.16516 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17244 172.6
[M+Na]+ 353.15438 177.7
[M-H]- 329.15788 174.8
[M+NH4]+ 348.19898 182.6
[M+K]+ 369.12832 179.5
[M+H-H2O]+ 313.16242 161.6
[M+HCOO]- 375.16336 197.5
[M+CH3COO]- 389.17901 222.2
[M+Na-2H]- 351.13983 178.4
[M]+ 330.16461 182.3
[M]- 330.16571 182.3
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

No patent data available for this compound.