CID 56773874

6-chloro-1h-pyrazolo[3,4-b]1,8-naphthyridin-3-amine

Structural Information

Molecular Formula
C9H6ClN5
SMILES
C1=C2C=C(C=NC2=NC3=NNC(=C31)N)Cl
InChI
InChI=1S/C9H6ClN5/c10-5-1-4-2-6-7(11)14-15-9(6)13-8(4)12-3-5/h1-3H,(H3,11,12,13,14,15)
InChIKey
DGSFHRRSHWRNKI-UHFFFAOYSA-N
Compound name
6-chloro-2H-pyrazolo[3,4-b][1,8]naphthyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.03117 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03845 143.6
[M+Na]+ 242.02039 157.2
[M-H]- 218.02389 143.1
[M+NH4]+ 237.06499 160.7
[M+K]+ 257.99433 150.1
[M+H-H2O]+ 202.02843 135.7
[M+HCOO]- 264.02937 158.9
[M+CH3COO]- 278.04502 156.1
[M+Na-2H]- 240.00584 152.4
[M]+ 219.03062 145.0
[M]- 219.03172 145.0
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.