CID 10110436

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

Structural Information

Molecular Formula
C18H22N8O2
SMILES
CNC(=O)C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC4=C(C=C3)NN=C4)OC
InChI
InChI=1S/C18H22N8O2/c1-19-15(27)11-5-7-26(8-6-11)17-22-16(23-18(24-17)28-2)21-13-3-4-14-12(9-13)10-20-25-14/h3-4,9-11H,5-8H2,1-2H3,(H,19,27)(H,20,25)(H,21,22,23,24)
InChIKey
MJXOITFZDZMCOI-UHFFFAOYSA-N
Compound name
1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.18658 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19386 189.1
[M+Na]+ 405.17580 195.5
[M-H]- 381.17930 191.2
[M+NH4]+ 400.22040 193.6
[M+K]+ 421.14974 188.7
[M+H-H2O]+ 365.18384 176.5
[M+HCOO]- 427.18478 203.0
[M+CH3COO]- 441.20043 195.9
[M+Na-2H]- 403.16125 193.1
[M]+ 382.18603 186.7
[M]- 382.18713 186.7
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.