CID 129626307

6-chloro-7-bromo-3-(3-(3-methoxy-2-piperidyl)acetonyl)-(3h)-quinazolin-4-one ethylhydrazone

Structural Information

Molecular Formula
C19H25BrClN5O2
SMILES
CCN/N=C(/CCN1C=NC2=CC(=C(C=C2C1=O)Cl)Br)\[C@@H]3[C@H](CCCN3)OC
InChI
InChI=1S/C19H25BrClN5O2/c1-3-24-25-15(18-17(28-2)5-4-7-22-18)6-8-26-11-23-16-10-13(20)14(21)9-12(16)19(26)27/h9-11,17-18,22,24H,3-8H2,1-2H3/b25-15-/t17-,18+/m0/s1
InChIKey
JRMOWDLJYAVRBQ-CDOSQBIHSA-N
Compound name
7-bromo-6-chloro-3-[(3Z)-3-(ethylhydrazinylidene)-3-[(2R,3S)-3-methoxypiperidin-2-yl]propyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.088 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.09528 198.1
[M+Na]+ 492.07722 206.6
[M-H]- 468.08072 202.9
[M+NH4]+ 487.12182 207.7
[M+K]+ 508.05116 192.0
[M+H-H2O]+ 452.08526 193.8
[M+HCOO]- 514.08620 207.2
[M+CH3COO]- 528.10185 233.0
[M+Na-2H]- 490.06267 200.9
[M]+ 469.08745 216.7
[M]- 469.08855 216.7
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.