CID 9843028

170142-20-8

Structural Information

Molecular Formula
C19H14ClN3O4
SMILES
CC1=C(C=CC(=C1)OC)N2C(=O)C3=C(C(=O)N2)NC4=C(C3=O)C=CC(=C4)Cl
InChI
InChI=1S/C19H14ClN3O4/c1-9-7-11(27-2)4-6-14(9)23-19(26)15-16(18(25)22-23)21-13-8-10(20)3-5-12(13)17(15)24/h3-8H,1-2H3,(H,21,24)(H,22,25)
InChIKey
PSTDMIAVUUYOOQ-UHFFFAOYSA-N
Compound name
7-chloro-2-(4-methoxy-2-methylphenyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

24
Patents

383.0673 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.07458 187.7
[M+Na]+ 406.05652 202.7
[M-H]- 382.06002 191.6
[M+NH4]+ 401.10112 197.6
[M+K]+ 422.03046 193.9
[M+H-H2O]+ 366.06456 178.0
[M+HCOO]- 428.06550 200.2
[M+CH3COO]- 442.08115 198.2
[M+Na-2H]- 404.04197 192.9
[M]+ 383.06675 194.0
[M]- 383.06785 194.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe