CID 9945310

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

Structural Information

Molecular Formula
C15H20N8O
SMILES
CN(C)CCNC1=NC(=NC(=N1)OC)NC2=CC3=C(C=C2)NN=C3
InChI
InChI=1S/C15H20N8O/c1-23(2)7-6-16-13-19-14(21-15(20-13)24-3)18-11-4-5-12-10(8-11)9-17-22-12/h4-5,8-9H,6-7H2,1-3H3,(H,17,22)(H2,16,18,19,20,21)
InChIKey
AGIKVWPSKCIRRJ-UHFFFAOYSA-N
Compound name
4-N-[2-(dimethylamino)ethyl]-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

328.176 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18328 174.2
[M+Na]+ 351.16522 182.4
[M-H]- 327.16872 176.6
[M+NH4]+ 346.20982 183.5
[M+K]+ 367.13916 177.4
[M+H-H2O]+ 311.17326 162.8
[M+HCOO]- 373.17420 195.9
[M+CH3COO]- 387.18985 183.8
[M+Na-2H]- 349.15067 182.3
[M]+ 328.17545 177.2
[M]- 328.17655 177.2
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.