CID 24777008

(2-[n-(4-methoxybenzylidene)-hydrazino]-quinoline-4-yl)-(4-methylpiperazine-1-yl)-methanone

Structural Information

Molecular Formula
C23H25N5O2
SMILES
CN1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)N/N=C/C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H25N5O2/c1-27-11-13-28(14-12-27)23(29)20-15-22(25-21-6-4-3-5-19(20)21)26-24-16-17-7-9-18(30-2)10-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,25,26)/b24-16+
InChIKey
ILBYHGIYRILGQQ-LFVJCYFKSA-N
Compound name
[2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.20084 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.20812 198.9
[M+Na]+ 426.19006 203.4
[M-H]- 402.19356 205.5
[M+NH4]+ 421.23466 205.7
[M+K]+ 442.16400 197.3
[M+H-H2O]+ 386.19810 185.4
[M+HCOO]- 448.19904 215.8
[M+CH3COO]- 462.21469 206.1
[M+Na-2H]- 424.17551 202.6
[M]+ 403.20029 196.7
[M]- 403.20139 196.7
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.