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 223.9
[M+Na]+ 444.09609 225.1
[M-H]- 420.09959 227.8
[M+NH4]+ 439.14069 215.1
[M+K]+ 460.07003 222.5
[M+H-H2O]+ 404.10413 214.3
[M+HCOO]- 466.10507 240.7
[M+CH3COO]- 480.12072 236.1
[M+Na-2H]- 442.08154 217.4
[M]+ 421.10632 226.3
[M]- 421.10742 226.3
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

No patent data available for this compound.