CID 9930560

220448-02-2

Structural Information

Molecular Formula
C21H19ClN4O2
SMILES
CN1C2=C(C=CC(=C2)Cl)C3=C1C(=O)N(N=C3CC(=O)N(C)C)C4=CC=CC=C4
InChI
InChI=1S/C21H19ClN4O2/c1-24(2)18(27)12-16-19-15-10-9-13(22)11-17(15)25(3)20(19)21(28)26(23-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKey
HJSQVJOROCIILI-UHFFFAOYSA-N
Compound name
2-(7-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

148
Patents

394.11966 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12694 191.9
[M+Na]+ 417.10888 209.3
[M+NH4]+ 412.15348 199.3
[M+K]+ 433.08282 202.5
[M-H]- 393.11238 196.3
[M+Na-2H]- 415.09433 199.2
[M]+ 394.11911 196.1
[M]- 394.12021 196.1
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