CID 505823

Schembl4593804

Structural Information

Molecular Formula
C19H14ClN3O3
SMILES
C1COCCN1C2=CC3=C(C=C2)C(=O)N4C5=C(C=C(C=C5)Cl)C(=O)C4=N3
InChI
InChI=1S/C19H14ClN3O3/c20-11-1-4-16-14(9-11)17(24)18-21-15-10-12(22-5-7-26-8-6-22)2-3-13(15)19(25)23(16)18/h1-4,9-10H,5-8H2
InChIKey
DXBANBWTDNERQT-UHFFFAOYSA-N
Compound name
8-chloro-3-morpholin-4-ylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

367.07236 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.07964 184.9
[M+Na]+ 390.06158 196.3
[M-H]- 366.06508 190.9
[M+NH4]+ 385.10618 197.3
[M+K]+ 406.03552 189.9
[M+H-H2O]+ 350.06962 174.4
[M+HCOO]- 412.07056 193.9
[M+CH3COO]- 426.08621 194.9
[M+Na-2H]- 388.04703 187.7
[M]+ 367.07181 187.5
[M]- 367.07291 187.5
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

patents stripe