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

143
Patents

196.10725 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11453 145.4
[M+Na]+ 219.09647 152.5
[M-H]- 195.09997 146.4
[M+NH4]+ 214.14107 156.7
[M+K]+ 235.07041 150.3
[M+H-H2O]+ 179.10451 135.2
[M+HCOO]- 241.10545 162.5
[M+CH3COO]- 255.12110 155.9
[M+Na-2H]- 217.08192 152.0
[M]+ 196.10670 139.3
[M]- 196.10780 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