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 201.3
[M+Na]+ 458.17986 203.1
[M-H]- 434.18336 208.4
[M+NH4]+ 453.22446 205.4
[M+K]+ 474.15380 200.1
[M+H-H2O]+ 418.18790 188.6
[M+HCOO]- 480.18884 217.7
[M+CH3COO]- 494.20449 235.3
[M+Na-2H]- 456.16531 205.9
[M]+ 435.19009 198.8
[M]- 435.19119 198.8
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.