CID 9947491

Methyl (2s)-1-[4-(1h-indazol-6-ylamino)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C17H19N7O3
SMILES
COC1=NC(=NC(=N1)N2CCC[C@H]2C(=O)OC)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C17H19N7O3/c1-26-14(25)13-4-3-7-24(13)16-20-15(21-17(22-16)27-2)19-11-6-5-10-9-18-23-12(10)8-11/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,18,23)(H,19,20,21,22)/t13-/m0/s1
InChIKey
RRNUZMSZDNNIHM-ZDUSSCGKSA-N
Compound name
methyl (2S)-1-[4-(1H-indazol-6-ylamino)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.15494 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16222 183.4
[M+Na]+ 392.14416 191.5
[M-H]- 368.14766 186.7
[M+NH4]+ 387.18876 190.7
[M+K]+ 408.11810 186.3
[M+H-H2O]+ 352.15220 171.9
[M+HCOO]- 414.15314 199.1
[M+CH3COO]- 428.16879 191.9
[M+Na-2H]- 390.12961 184.7
[M]+ 369.15439 184.9
[M]- 369.15549 184.9
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.