CID 478666

Schembl9102932

Structural Information

Molecular Formula
C24H24N4O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=O)C4=NC5=CC=CC=C5C(=O)N34
InChI
InChI=1S/C24H24N4O4/c1-24(2,3)32-23(31)27-12-10-26(11-13-27)15-8-9-17-19(14-15)28-21(20(17)29)25-18-7-5-4-6-16(18)22(28)30/h4-9,14H,10-13H2,1-3H3
InChIKey
ADQCBZBVDJYBNF-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6,12-dioxoindolo[2,1-b]quinazolin-9-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

432.17975 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.18703 209.0
[M+Na]+ 455.16897 217.0
[M-H]- 431.17247 213.0
[M+NH4]+ 450.21357 217.5
[M+K]+ 471.14291 211.0
[M+H-H2O]+ 415.17701 197.8
[M+HCOO]- 477.17795 217.9
[M+CH3COO]- 491.19360 216.1
[M+Na-2H]- 453.15442 210.0
[M]+ 432.17920 210.2
[M]- 432.18030 210.2
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