CID 10111412

2-[4-[4-(1h-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-n-methyl-acetamide

Structural Information

Molecular Formula
C18H23N9O2
SMILES
CNC(=O)CN1CCN(CC1)C2=NC(=NC(=N2)NC3=CC4=C(C=C3)NN=C4)OC
InChI
InChI=1S/C18H23N9O2/c1-19-15(28)11-26-5-7-27(8-6-26)17-22-16(23-18(24-17)29-2)21-13-3-4-14-12(9-13)10-20-25-14/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,28)(H,20,25)(H,21,22,23,24)
InChIKey
XVTQXHXYMMLRMO-UHFFFAOYSA-N
Compound name
2-[4-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.19748 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.20476 193.2
[M+Na]+ 420.18670 199.6
[M-H]- 396.19020 194.1
[M+NH4]+ 415.23130 195.8
[M+K]+ 436.16064 192.4
[M+H-H2O]+ 380.19474 180.1
[M+HCOO]- 442.19568 205.6
[M+CH3COO]- 456.21133 199.2
[M+Na-2H]- 418.17215 197.2
[M]+ 397.19693 191.2
[M]- 397.19803 191.2
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.