CID 3077555

Brn 4828809

Structural Information

Molecular Formula
C23H25N5O3
SMILES
CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=O)CN4CCOCC4
InChI
InChI=1S/C23H25N5O3/c1-16-6-8-17(9-7-16)24-21-14-19(18-4-2-3-5-20(18)25-21)23(30)27-26-22(29)15-28-10-12-31-13-11-28/h2-9,14H,10-13,15H2,1H3,(H,24,25)(H,26,29)(H,27,30)
InChIKey
KQPLCJVECTXZSF-UHFFFAOYSA-N
Compound name
2-(4-methylanilino)-N'-(2-morpholin-4-ylacetyl)quinoline-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.19574 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.20302 199.5
[M+Na]+ 442.18496 201.6
[M-H]- 418.18846 206.6
[M+NH4]+ 437.22956 204.4
[M+K]+ 458.15890 197.7
[M+H-H2O]+ 402.19300 187.0
[M+HCOO]- 464.19394 215.7
[M+CH3COO]- 478.20959 206.0
[M+Na-2H]- 440.17041 203.8
[M]+ 419.19519 195.6
[M]- 419.19629 195.6
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.