CID 9901910

2-(1h-6-indazolyl)amino-4-methoxy-6-morpholino-1,3,5-triazine

Structural Information

Molecular Formula
C15H17N7O2
SMILES
COC1=NC(=NC(=N1)N2CCOCC2)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C15H17N7O2/c1-23-15-19-13(18-14(20-15)22-4-6-24-7-5-22)17-11-3-2-10-9-16-21-12(10)8-11/h2-3,8-9H,4-7H2,1H3,(H,16,21)(H,17,18,19,20)
InChIKey
JTFVCNRGAAARFO-UHFFFAOYSA-N
Compound name
N-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1H-indazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14438 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15166 175.3
[M+Na]+ 350.13360 183.4
[M-H]- 326.13710 177.6
[M+NH4]+ 345.17820 180.8
[M+K]+ 366.10754 177.8
[M+H-H2O]+ 310.14164 162.6
[M+HCOO]- 372.14258 188.8
[M+CH3COO]- 386.15823 183.5
[M+Na-2H]- 348.11905 181.1
[M]+ 327.14383 173.8
[M]- 327.14493 173.8
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.