CID 505773

Schembl6769054

Structural Information

Molecular Formula
C17H19N7O2S
SMILES
CSC1=NC=C(C(=N1)NC2=CC3=C(C=C2)NN=C3)C(=O)NN4CCOCC4
InChI
InChI=1S/C17H19N7O2S/c1-27-17-18-10-13(16(25)23-24-4-6-26-7-5-24)15(21-17)20-12-2-3-14-11(8-12)9-19-22-14/h2-3,8-10H,4-7H2,1H3,(H,19,22)(H,23,25)(H,18,20,21)
InChIKey
GMDDWJYZWDHDMM-UHFFFAOYSA-N
Compound name
4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-morpholin-4-ylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

385.13208 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13936 184.4
[M+Na]+ 408.12130 191.7
[M-H]- 384.12480 188.2
[M+NH4]+ 403.16590 189.7
[M+K]+ 424.09524 185.6
[M+H-H2O]+ 368.12934 174.0
[M+HCOO]- 430.13028 195.0
[M+CH3COO]- 444.14593 192.0
[M+Na-2H]- 406.10675 187.8
[M]+ 385.13153 183.9
[M]- 385.13263 183.9
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.