CID 3077557

Brn 4829495

Structural Information

Molecular Formula
C23H25N5O4
SMILES
COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=O)CN4CCOCC4
InChI
InChI=1S/C23H25N5O4/c1-31-17-6-4-5-16(13-17)24-21-14-19(18-7-2-3-8-20(18)25-21)23(30)27-26-22(29)15-28-9-11-32-12-10-28/h2-8,13-14H,9-12,15H2,1H3,(H,24,25)(H,26,29)(H,27,30)
InChIKey
CRKKNOABLJBWQY-UHFFFAOYSA-N
Compound name
2-(3-methoxyanilino)-N'-(2-morpholin-4-ylacetyl)quinoline-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.19064 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.19792 204.6
[M+Na]+ 458.17986 215.4
[M+NH4]+ 453.22446 209.5
[M+K]+ 474.15380 209.5
[M-H]- 434.18336 211.5
[M+Na-2H]- 456.16531 211.0
[M]+ 435.19009 207.7
[M]- 435.19119 207.7
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.