CID 10133421

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

Structural Information

Molecular Formula
C17H19N9O
SMILES
COC1=NC(=NC(=N1)NC2=CC3=C(C=C2)NN=C3)NCCCN4C=CN=C4
InChI
InChI=1S/C17H19N9O/c1-27-17-23-15(19-5-2-7-26-8-6-18-11-26)22-16(24-17)21-13-3-4-14-12(9-13)10-20-25-14/h3-4,6,8-11H,2,5,7H2,1H3,(H,20,25)(H2,19,21,22,23,24)
InChIKey
VLXAQMZWUIFTNA-UHFFFAOYSA-N
Compound name
4-N-(3-imidazol-1-ylpropyl)-2-N-(1H-indazol-5-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.17126 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17854 179.3
[M+Na]+ 388.16048 188.2
[M-H]- 364.16398 181.7
[M+NH4]+ 383.20508 185.4
[M+K]+ 404.13442 180.9
[M+H-H2O]+ 348.16852 166.9
[M+HCOO]- 410.16946 198.0
[M+CH3COO]- 424.18511 187.8
[M+Na-2H]- 386.14593 185.5
[M]+ 365.17071 181.7
[M]- 365.17181 181.7
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.