CID 10291739

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

Structural Information

Molecular Formula
C16H21N9O
SMILES
CN1CCN(CC1)NC2=NC(=NC(=N2)NC3=CC4=C(C=C3)C=NN4)OC
InChI
InChI=1S/C16H21N9O/c1-24-5-7-25(8-6-24)23-15-19-14(20-16(21-15)26-2)18-12-4-3-11-10-17-22-13(11)9-12/h3-4,9-10H,5-8H2,1-2H3,(H,17,22)(H2,18,19,20,21,23)
InChIKey
FLNMYDVWWOMFNG-UHFFFAOYSA-N
Compound name
4-N-(1H-indazol-6-yl)-6-methoxy-2-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.18692 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.19420 183.5
[M+Na]+ 378.17614 191.2
[M-H]- 354.17964 184.5
[M+NH4]+ 373.22074 188.0
[M+K]+ 394.15008 183.6
[M+H-H2O]+ 338.18418 170.5
[M+HCOO]- 400.18512 197.2
[M+CH3COO]- 414.20077 190.6
[M+Na-2H]- 376.16159 189.2
[M]+ 355.18637 180.9
[M]- 355.18747 180.9
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.