CID 68669

Pumitepa

Structural Information

Molecular Formula
C12H19N8OP
SMILES
CN1C=NC2=C1C(=NC(=N2)N(C)C)NP(=O)(N3CC3)N4CC4
InChI
InChI=1S/C12H19N8OP/c1-17(2)12-14-10-9(18(3)8-13-10)11(15-12)16-22(21,19-4-5-19)20-6-7-20/h8H,4-7H2,1-3H3,(H,14,15,16,21)
InChIKey
KAEVHZSIYLATMK-UHFFFAOYSA-N
Compound name
6-N-[bis(aziridin-1-yl)phosphoryl]-2-N,2-N,7-trimethylpurine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

4587
Patents

322.14194 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.14922 155.9
[M+Na]+ 345.13116 168.0
[M+NH4]+ 340.17576 161.4
[M+K]+ 361.10510 169.3
[M-H]- 321.13466 168.9
[M+Na-2H]- 343.11661 166.3
[M]+ 322.14139 162.9
[M]- 322.14249 162.9
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

patents stripe