CID 377017

Nsc658235

Structural Information

Molecular Formula
C21H22N4O
SMILES
CC1=NC2=C(C=C1)C(=CC=C2)NC3CCN(N3C(=O)C)C4=CC=CC=C4
InChI
InChI=1S/C21H22N4O/c1-15-11-12-18-19(22-15)9-6-10-20(18)23-21-13-14-24(25(21)16(2)26)17-7-4-3-5-8-17/h3-12,21,23H,13-14H2,1-2H3
InChIKey
PWRMJQKBAQTMLS-UHFFFAOYSA-N
Compound name
1-[5-[(2-methylquinolin-5-yl)amino]-2-phenylpyrazolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.17935 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18663 184.8
[M+Na]+ 369.16857 191.5
[M-H]- 345.17207 191.4
[M+NH4]+ 364.21317 196.0
[M+K]+ 385.14251 185.0
[M+H-H2O]+ 329.17661 173.5
[M+HCOO]- 391.17755 202.1
[M+CH3COO]- 405.19320 194.0
[M+Na-2H]- 367.15402 186.2
[M]+ 346.17880 182.7
[M]- 346.17990 182.7
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.