CID 508488

Schembl7078745

Structural Information

Molecular Formula
C18H19N5O2
SMILES
CC1=NC(=C(C=C1)C(=O)N2CCOCC2)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C18H19N5O2/c1-12-2-5-15(18(24)23-6-8-25-9-7-23)17(20-12)21-14-4-3-13-11-19-22-16(13)10-14/h2-5,10-11H,6-9H2,1H3,(H,19,22)(H,20,21)
InChIKey
RPPFEQJJHITRSR-UHFFFAOYSA-N
Compound name
[2-(1H-indazol-6-ylamino)-6-methylpyridin-3-yl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

337.15387 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16115 179.0
[M+Na]+ 360.14309 185.8
[M-H]- 336.14659 183.7
[M+NH4]+ 355.18769 186.9
[M+K]+ 376.11703 180.4
[M+H-H2O]+ 320.15113 167.6
[M+HCOO]- 382.15207 193.7
[M+CH3COO]- 396.16772 187.6
[M+Na-2H]- 358.12854 182.6
[M]+ 337.15332 176.3
[M]- 337.15442 176.3
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