CID 120377

Brn 0925545

Structural Information

Molecular Formula
C9H13BrN5OP
SMILES
CC1=NC=C(C(=N1)NP(=O)(N2CC2)N3CC3)Br
InChI
InChI=1S/C9H13BrN5OP/c1-7-11-6-8(10)9(12-7)13-17(16,14-2-3-14)15-4-5-15/h6H,2-5H2,1H3,(H,11,12,13,16)
InChIKey
QUEPGTOCSWWYEK-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-5-bromo-2-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.00412 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.01140 193.7
[M+Na]+ 339.99334 204.9
[M-H]- 315.99684 199.5
[M+NH4]+ 335.03794 197.3
[M+K]+ 355.96728 192.5
[M+H-H2O]+ 300.00138 188.8
[M+HCOO]- 362.00232 212.8
[M+CH3COO]- 376.01797 212.9
[M+Na-2H]- 337.97879 194.4
[M]+ 317.00357 211.7
[M]- 317.00467 211.7
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.