CID 3077556

Brn 4828087

Structural Information

Molecular Formula
C23H27N5O3
SMILES
CCN(CC)CC(=O)NNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)OC
InChI
InChI=1S/C23H27N5O3/c1-4-28(5-2)15-22(29)26-27-23(30)19-14-21(25-20-12-7-6-11-18(19)20)24-16-9-8-10-17(13-16)31-3/h6-14H,4-5,15H2,1-3H3,(H,24,25)(H,26,29)(H,27,30)
InChIKey
DAJJFAQBFIKYCV-UHFFFAOYSA-N
Compound name
N'-[2-(diethylamino)acetyl]-2-(3-methoxyanilino)quinoline-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.2114 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.218676 201.1
[M+Na]+ 444.200618 204.0
[M-H]- 420.204124 207.9
[M+NH4]+ 439.245223 209.7
[M+K]+ 460.174558 201.2
[M+H-H2O]+ 404.208660 189.8
[M+HCOO]- 466.209601 224.2
[M+CH3COO]- 480.225251 241.0
[M+Na-2H]- 442.186066 205.1
[M]+ 421.21085142 203.5
[M]- 421.21194858 203.5
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.