CID 200922

Brn 0540907

Structural Information

Molecular Formula
C8H11BrN5OP
SMILES
C1CN1P(=O)(NC2=NC=C(C=N2)Br)N3CC3
InChI
InChI=1S/C8H11BrN5OP/c9-7-5-10-8(11-6-7)12-16(15,13-1-2-13)14-3-4-14/h5-6H,1-4H2,(H,10,11,12,15)
InChIKey
NAQJVPZMGHCEHE-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-5-bromopyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.98846 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.99574 189.8
[M+Na]+ 325.97768 200.7
[M-H]- 301.98118 195.5
[M+NH4]+ 321.02228 193.6
[M+K]+ 341.95162 188.8
[M+H-H2O]+ 285.98572 185.0
[M+HCOO]- 347.98666 209.2
[M+CH3COO]- 362.00231 209.7
[M+Na-2H]- 323.96313 191.5
[M]+ 302.98791 207.2
[M]- 302.98901 207.2
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.