CID 4460390

476483-90-6

Structural Information

Molecular Formula
C24H23ClN4O3S
SMILES
CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)N)C#N
InChI
InChI=1S/C24H23ClN4O3S/c1-12-7-15(13(2)33-12)21-16(11-26)23(27)28(18-6-5-14(29(31)32)8-17(18)25)19-9-24(3,4)10-20(30)22(19)21/h5-8,21H,9-10,27H2,1-4H3
InChIKey
RQMDCKCURGSECL-UHFFFAOYSA-N
Compound name
2-amino-1-(2-chloro-4-nitrophenyl)-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.11795 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.12523 202.8
[M+Na]+ 505.10717 216.2
[M+NH4]+ 500.15177 207.9
[M+K]+ 521.08111 206.2
[M-H]- 481.11067 202.2
[M+Na-2H]- 503.09262 206.5
[M]+ 482.11740 204.5
[M]- 482.11850 204.5
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.