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
2
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]+ 331.172436 172.6
[M+Na]+ 353.154378 177.7
[M-H]- 329.157884 174.8
[M+NH4]+ 348.198983 182.6
[M+K]+ 369.128318 179.5
[M+H-H2O]+ 313.162420 161.6
[M+HCOO]- 375.163361 197.5
[M+CH3COO]- 389.179011 222.2
[M+Na-2H]- 351.139826 178.4
[M]+ 330.16461142 182.3
[M]- 330.16570858 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.