CID 6478563

Pyrido[4',3':4,5]pyrimido[1,2-a]indole-6,12-dione, 8-[(1e)-1-octenyl]-

Structural Information

Molecular Formula
C22H21N3O2
SMILES
CCCCCC/C=C/C1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=NC=C4)C2=O
InChI
InChI=1S/C22H21N3O2/c1-2-3-4-5-6-7-8-15-9-10-19-16(13-15)20(26)21-24-18-11-12-23-14-17(18)22(27)25(19)21/h7-14H,2-6H2,1H3/b8-7+
InChIKey
YMJKDZIRCZRQJV-BQYQJAHWSA-N
Compound name
14-[(E)-oct-1-enyl]-2,6,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1634 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17068 190.1
[M+Na]+ 382.15262 200.7
[M-H]- 358.15612 192.4
[M+NH4]+ 377.19722 203.9
[M+K]+ 398.12656 192.4
[M+H-H2O]+ 342.16066 179.9
[M+HCOO]- 404.16160 206.8
[M+CH3COO]- 418.17725 199.8
[M+Na-2H]- 380.13807 193.3
[M]+ 359.16285 195.1
[M]- 359.16395 195.1
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.