CID 50989012

1251925-46-8

Structural Information

Molecular Formula
C6H7BrN6
SMILES
CN1C2=NC=NC(=C2C(=N1)Br)NN
InChI
InChI=1S/C6H7BrN6/c1-13-6-3(4(7)12-13)5(11-8)9-2-10-6/h2H,8H2,1H3,(H,9,10,11)
InChIKey
NFTNTDVIOYCDIV-UHFFFAOYSA-N
Compound name
(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99156 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.99884 138.0
[M+Na]+ 264.98078 153.0
[M-H]- 240.98428 141.3
[M+NH4]+ 260.02538 156.7
[M+K]+ 280.95472 141.0
[M+H-H2O]+ 224.98882 135.8
[M+HCOO]- 286.98976 159.6
[M+CH3COO]- 301.00541 153.1
[M+Na-2H]- 262.96623 148.2
[M]+ 241.99101 157.3
[M]- 241.99211 157.3
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.