CID 385198

Nsc676312

Structural Information

Molecular Formula
C10H15BrN4O
SMILES
C1CC(C1)(CNC2=NC(=NC=C2Br)N)CO
InChI
InChI=1S/C10H15BrN4O/c11-7-4-13-9(12)15-8(7)14-5-10(6-16)2-1-3-10/h4,16H,1-3,5-6H2,(H3,12,13,14,15)
InChIKey
ZWYAOVQOEZSEGI-UHFFFAOYSA-N
Compound name
[1-[[(2-amino-5-bromopyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.0429 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05018 149.4
[M+Na]+ 309.03212 157.6
[M-H]- 285.03562 153.9
[M+NH4]+ 304.07672 160.5
[M+K]+ 325.00606 148.8
[M+H-H2O]+ 269.04016 142.2
[M+HCOO]- 331.04110 167.0
[M+CH3COO]- 345.05675 200.7
[M+Na-2H]- 307.01757 156.7
[M]+ 286.04235 172.3
[M]- 286.04345 172.3
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.