CID 218624

A-273

Structural Information

Molecular Formula
C26H30N6O6P2
SMILES
C1CN1P(=O)(NCCC(=O)C2=CN=CC=C2)OC3=CC=C(C=C3)OP(=O)(NCCC(=O)C4=CN=CC=C4)N5CC5
InChI
InChI=1S/C26H30N6O6P2/c33-25(21-3-1-11-27-19-21)9-13-29-39(35,31-15-16-31)37-23-5-7-24(8-6-23)38-40(36,32-17-18-32)30-14-10-26(34)22-4-2-12-28-20-22/h1-8,11-12,19-20H,9-10,13-18H2,(H,29,35)(H,30,36)
InChIKey
YDCLNXKATWIFOF-UHFFFAOYSA-N
Compound name
3-[[aziridin-1-yl-[4-[aziridin-1-yl-[(3-oxo-3-pyridin-3-ylpropyl)amino]phosphoryl]oxyphenoxy]phosphoryl]amino]-1-pyridin-3-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

584.1702 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.17748 205.5
[M+Na]+ 607.15942 215.4
[M+NH4]+ 602.20402 207.8
[M+K]+ 623.13336 215.4
[M-H]- 583.16292 219.6
[M+Na-2H]- 605.14487 216.7
[M]+ 584.16965 212.3
[M]- 584.17075 212.3
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