CID 10135608

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

Structural Information

Molecular Formula
C21H20N8O
SMILES
COC1=NC(=NC(=N1)NC2=CC3=C(C=C2)C=NN3)NCCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C21H20N8O/c1-30-21-27-19(22-9-8-13-11-23-17-5-3-2-4-16(13)17)26-20(28-21)25-15-7-6-14-12-24-29-18(14)10-15/h2-7,10-12,23H,8-9H2,1H3,(H,24,29)(H2,22,25,26,27,28)
InChIKey
IPRNNLBTZGGXEX-UHFFFAOYSA-N
Compound name
2-N-(1H-indazol-6-yl)-4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.176 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18328 186.9
[M+Na]+ 423.16522 196.7
[M-H]- 399.16872 190.7
[M+NH4]+ 418.20982 193.4
[M+K]+ 439.13916 187.4
[M+H-H2O]+ 383.17326 175.4
[M+HCOO]- 445.17420 205.2
[M+CH3COO]- 459.18985 195.3
[M+Na-2H]- 421.15067 194.0
[M]+ 400.17545 189.3
[M]- 400.17655 189.3
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.