CID 10221622

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

Structural Information

Molecular Formula
C18H24N8O2
SMILES
COC1=NC(=NC(=N1)NC2=CC3=C(C=C2)NN=C3)NCCCN4CCOCC4
InChI
InChI=1S/C18H24N8O2/c1-27-18-23-16(19-5-2-6-26-7-9-28-10-8-26)22-17(24-18)21-14-3-4-15-13(11-14)12-20-25-15/h3-4,11-12H,2,5-10H2,1H3,(H,20,25)(H2,19,21,22,23,24)
InChIKey
XXCCJVBHZQJSRH-UHFFFAOYSA-N
Compound name
2-N-(1H-indazol-5-yl)-6-methoxy-4-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2022 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20948 188.2
[M+Na]+ 407.19142 194.0
[M-H]- 383.19492 190.2
[M+NH4]+ 402.23602 191.2
[M+K]+ 423.16536 188.0
[M+H-H2O]+ 367.19946 174.9
[M+HCOO]- 429.20040 201.9
[M+CH3COO]- 443.21605 194.8
[M+Na-2H]- 405.17687 193.9
[M]+ 384.20165 187.2
[M]- 384.20275 187.2
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.