CID 139594962

Ns00097221

Structural Information

Molecular Formula
C24H21N5O4
SMILES
CC1C(=O)N2C(N1)[C@]3(C[C@@H]4C5=NC6=CC=CC=C6C(=O)N5C(O3)C(=O)N4C)C7=CC=CC=C72
InChI
InChI=1S/C24H21N5O4/c1-12-19(30)28-16-10-6-4-8-14(16)24(23(28)25-12)11-17-18-26-15-9-5-3-7-13(15)20(31)29(18)22(33-24)21(32)27(17)2/h3-10,12,17,22-23,25H,11H2,1-2H3/t12?,17-,22?,23?,24+/m1/s1
InChIKey
FSPDRDFMFJHNLV-CLSMJWJWSA-N
Compound name
(12R,14S)-2',17-dimethylspiro[15-oxa-2,10,17-triazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,6,8,10-tetraene-14,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,16-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.15936 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.166636 202.4
[M+Na]+ 466.148578 216.6
[M-H]- 442.152084 207.3
[M+NH4]+ 461.193183 215.8
[M+K]+ 482.122518 207.5
[M+H-H2O]+ 426.156620 194.6
[M+HCOO]- 488.157561 205.5
[M+CH3COO]- 502.173211 209.1
[M+Na-2H]- 464.134026 204.3
[M]+ 443.15881142 204.3
[M]- 443.15990858 204.3
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.