CID 31321

Azetepa

Structural Information

Molecular Formula
C8H14N5OPS
SMILES
CCN(C1=NN=CS1)P(=O)(N2CC2)N3CC3
InChI
InChI=1S/C8H14N5OPS/c1-2-13(8-10-9-7-16-8)15(14,11-3-4-11)12-5-6-12/h7H,2-6H2,1H3
InChIKey
HRXVDDOKERXBEY-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-N-ethyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13579
Patents

259.06567 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07295 174.3
[M+Na]+ 282.05489 181.5
[M-H]- 258.05839 178.8
[M+NH4]+ 277.09949 177.9
[M+K]+ 298.02883 178.3
[M+H-H2O]+ 242.06293 164.1
[M+HCOO]- 304.06387 192.9
[M+CH3COO]- 318.07952 206.9
[M+Na-2H]- 280.04034 171.4
[M]+ 259.06512 179.4
[M]- 259.06622 179.4
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

No patent data available for this compound.