CID 370147

Nsc642783

Structural Information

Molecular Formula
C14H25N11OP4S
SMILES
C1CN1P2(=NP(=NP3(=N2)NNP(=S)(NN3)OC4=CC=CC=C4)(N5CC5)N6CC6)N7CC7
InChI
InChI=1S/C14H25N11OP4S/c31-30(26-14-4-2-1-3-5-14)17-15-27(16-18-30)19-28(22-6-7-22,23-8-9-23)21-29(20-27,24-10-11-24)25-12-13-25/h1-5,15-16H,6-13H2,(H2,17,18,31)
InChIKey
BOINQHNDAWRRLG-UHFFFAOYSA-N
Compound name
2,2,4,4-tetrakis(aziridin-1-yl)-9-phenoxy-9-sulfanylidene-1,3,5,7,8,10,11-heptaza-2lambda5,4lambda5,6lambda5,9lambda5-tetraphosphaspiro[5.5]undeca-1(6),2,4-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.0915 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.09878 239.7
[M+Na]+ 542.08072 235.5
[M-H]- 518.08422 235.1
[M+NH4]+ 537.12532 227.1
[M+K]+ 558.05466 238.6
[M+H-H2O]+ 502.08876 233.3
[M+HCOO]- 564.08970 243.4
[M+CH3COO]- 578.10535 232.8
[M+Na-2H]- 540.06617 225.7
[M]+ 519.09095 235.0
[M]- 519.09205 235.0
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.