CID 9944439

N-(4-imidazol-1-yl-6-methoxy-1,3,5-triazin-2-yl)-1h-indazol-6-amine

Structural Information

Molecular Formula
C14H12N8O
SMILES
COC1=NC(=NC(=N1)N2C=CN=C2)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C14H12N8O/c1-23-14-19-12(18-13(20-14)22-5-4-15-8-22)17-10-3-2-9-7-16-21-11(9)6-10/h2-8H,1H3,(H,16,21)(H,17,18,19,20)
InChIKey
DGVRYDWSRCENDS-UHFFFAOYSA-N
Compound name
N-(4-imidazol-1-yl-6-methoxy-1,3,5-triazin-2-yl)-1H-indazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1134 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12068 167.0
[M+Na]+ 331.10262 178.3
[M-H]- 307.10612 169.6
[M+NH4]+ 326.14722 175.7
[M+K]+ 347.07656 171.4
[M+H-H2O]+ 291.11066 155.3
[M+HCOO]- 353.11160 185.5
[M+CH3COO]- 367.12725 177.1
[M+Na-2H]- 329.08807 173.2
[M]+ 308.11285 169.0
[M]- 308.11395 169.0
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.