CID 505829

Chembl2347791

Structural Information

Molecular Formula
C21H21ClN4O2
SMILES
CCN(CCN(C)C)C1=CC2=C(C=C1)N=C3C(=O)C4=C(N3C2=O)C=CC(=C4)Cl
InChI
InChI=1S/C21H21ClN4O2/c1-4-25(10-9-24(2)3)14-6-7-17-15(12-14)21(28)26-18-8-5-13(22)11-16(18)19(27)20(26)23-17/h5-8,11-12H,4,9-10H2,1-3H3
InChIKey
AKVWOSPIZIEWAT-UHFFFAOYSA-N
Compound name
8-chloro-2-[2-(dimethylamino)ethyl-ethylamino]indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.1353 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.14258 195.3
[M+Na]+ 419.12452 205.9
[M-H]- 395.12802 202.0
[M+NH4]+ 414.16912 210.7
[M+K]+ 435.09846 200.3
[M+H-H2O]+ 379.13256 186.1
[M+HCOO]- 441.13350 211.9
[M+CH3COO]- 455.14915 206.0
[M+Na-2H]- 417.10997 198.1
[M]+ 396.13475 204.2
[M]- 396.13585 204.2
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

No patent data available for this compound.