CID 3038349

Brn 0463320

Structural Information

Molecular Formula
C17H21N5O4P2
SMILES
C1CN1P(=O)(N2CC2)OC3=CC=C(C=C3)OP(=O)(N)N4CC=C(C=C4)N5C=C5
InChI
InChI=1S/C17H21N5O4P2/c18-27(23,20-7-5-15(6-8-20)19-9-10-19)25-16-1-3-17(4-2-16)26-28(24,21-11-12-21)22-13-14-22/h1-7,9-10H,8,11-14H2,(H2,18,23)
InChIKey
FFTIPIWOGAXVAL-UHFFFAOYSA-N
Compound name
1-[amino-[4-[bis(aziridin-1-yl)phosphoryloxy]phenoxy]phosphoryl]-4-(azirin-1-yl)-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.10687 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11415 145.3
[M+Na]+ 444.09609 155.5
[M+NH4]+ 439.14069 149.9
[M+K]+ 460.07003 157.8
[M-H]- 420.09959 160.7
[M+Na-2H]- 442.08154 157.8
[M]+ 421.10632 153.1
[M]- 421.10742 153.1
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.