CID 46208154

99vkk4s5sa

Structural Information

Molecular Formula
C20H23N5O2
SMILES
CN1C(=CC(=N1)C(=O)NCCN2CCOCC2)C3=CC4=CC=CC=C4N=C3
InChI
InChI=1S/C20H23N5O2/c1-24-19(16-12-15-4-2-3-5-17(15)22-14-16)13-18(23-24)20(26)21-6-7-25-8-10-27-11-9-25/h2-5,12-14H,6-11H2,1H3,(H,21,26)
InChIKey
DBWCQHQSBPWMNN-UHFFFAOYSA-N
Compound name
1-methyl-N-(2-morpholin-4-ylethyl)-5-quinolin-3-ylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

365.18518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.192456 187.9
[M+Na]+ 388.174398 194.1
[M-H]- 364.177904 193.4
[M+NH4]+ 383.219003 195.2
[M+K]+ 404.148338 189.1
[M+H-H2O]+ 348.182440 175.6
[M+HCOO]- 410.183381 203.3
[M+CH3COO]- 424.199031 196.2
[M+Na-2H]- 386.159846 190.7
[M]+ 365.18463142 187.4
[M]- 365.18572858 187.4
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

patents stripe