CID 96906

S-triazine, 2,4-diamino-6-morpholino-

Structural Information

Molecular Formula
C7H12N6O
SMILES
C1COCCN1C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C7H12N6O/c8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h1-4H2,(H4,8,9,10,11,12)
InChIKey
SDSUSOOLEPDQPJ-UHFFFAOYSA-N
Compound name
6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

196.10725 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.114526 145.4
[M+Na]+ 219.096468 152.5
[M-H]- 195.099974 146.4
[M+NH4]+ 214.141073 156.7
[M+K]+ 235.070408 150.3
[M+H-H2O]+ 179.104510 135.2
[M+HCOO]- 241.105451 162.5
[M+CH3COO]- 255.121101 155.9
[M+Na-2H]- 217.081916 152.0
[M]+ 196.10670142 139.3
[M]- 196.10779858 139.3
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