CID 505830

6-(8-chloro-6,12-dioxo-indolo[2,1-b]quinazolin-2-yl)hexyl acetate

Structural Information

Molecular Formula
C23H21ClN2O4
SMILES
CC(=O)OCCCCCCC1=CC2=C(C=C1)N=C3C(=O)C4=C(N3C2=O)C=CC(=C4)Cl
InChI
InChI=1S/C23H21ClN2O4/c1-14(27)30-11-5-3-2-4-6-15-7-9-19-17(12-15)23(29)26-20-10-8-16(24)13-18(20)21(28)22(26)25-19/h7-10,12-13H,2-6,11H2,1H3
InChIKey
HJYGYWJYRBCVNO-UHFFFAOYSA-N
Compound name
6-(8-chloro-6,12-dioxoindolo[2,1-b]quinazolin-2-yl)hexyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.119 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.12628 201.8
[M+Na]+ 447.10822 212.7
[M-H]- 423.11172 205.6
[M+NH4]+ 442.15282 215.2
[M+K]+ 463.08216 205.3
[M+H-H2O]+ 407.11626 193.1
[M+HCOO]- 469.11720 214.2
[M+CH3COO]- 483.13285 228.1
[M+Na-2H]- 445.09367 202.8
[M]+ 424.11845 211.6
[M]- 424.11955 211.6
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.