CID 129012086

Bay-707

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CCNC(=O)C1=CC2=C(C=CN=C2N1)N3CCOC[C@@H]3C
InChI
InChI=1S/C15H20N4O2/c1-3-16-15(20)12-8-11-13(4-5-17-14(11)18-12)19-6-7-21-9-10(19)2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,17,18)/t10-/m0/s1
InChIKey
RPMGXDCRCWWCRY-JTQLQIEISA-N
Compound name
N-ethyl-4-[(3S)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

288.15863 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.165906 168.3
[M+Na]+ 311.147848 175.3
[M-H]- 287.151354 171.2
[M+NH4]+ 306.192453 180.4
[M+K]+ 327.121788 171.4
[M+H-H2O]+ 271.155890 159.0
[M+HCOO]- 333.156831 184.2
[M+CH3COO]- 347.172481 178.2
[M+Na-2H]- 309.133296 171.3
[M]+ 288.15808142 166.7
[M]- 288.15917858 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe