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]+ 422.21868 201.1
[M+Na]+ 444.20062 204.0
[M-H]- 420.20412 207.9
[M+NH4]+ 439.24522 209.7
[M+K]+ 460.17456 201.2
[M+H-H2O]+ 404.20866 189.8
[M+HCOO]- 466.20960 224.2
[M+CH3COO]- 480.22525 241.0
[M+Na-2H]- 442.18607 205.1
[M]+ 421.21085 203.5
[M]- 421.21195 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.