CID 9574966

N^1-[4-(1,1-dimethylpropyl-benzylidene)-quinoline-2-carboxamidrazone

Structural Information

Molecular Formula
C22H24N4
SMILES
CCC(C)(C)C1=CC=C(C=C1)/C=N/N=C(/C2=NC3=CC=CC=C3C=C2)\N
InChI
InChI=1S/C22H24N4/c1-4-22(2,3)18-12-9-16(10-13-18)15-24-26-21(23)20-14-11-17-7-5-6-8-19(17)25-20/h5-15H,4H2,1-3H3,(H2,23,26)/b24-15+
InChIKey
GAZRNEDCUVTMBW-BUVRLJJBSA-N
Compound name
N'-[(E)-[4-(2-methylbutan-2-yl)phenyl]methylideneamino]quinoline-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.2001 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20738 185.8
[M+Na]+ 367.18932 191.3
[M-H]- 343.19282 193.5
[M+NH4]+ 362.23392 198.7
[M+K]+ 383.16326 185.8
[M+H-H2O]+ 327.19736 175.5
[M+HCOO]- 389.19830 209.0
[M+CH3COO]- 403.21395 226.0
[M+Na-2H]- 365.17477 192.3
[M]+ 344.19955 185.6
[M]- 344.20065 185.6
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.