CID 466843

172282-24-5

Structural Information

Molecular Formula
C22H19N5O
SMILES
CCN1C2=C(C=CC=N2)C(=O)N(C3=C1N=C(C=C3)C4=CNC5=CC=CC=C54)C
InChI
InChI=1S/C22H19N5O/c1-3-27-20-15(8-6-12-23-20)22(28)26(2)19-11-10-18(25-21(19)27)16-13-24-17-9-5-4-7-14(16)17/h4-13,24H,3H2,1-2H3
InChIKey
JKEVDPUWXLGMPH-UHFFFAOYSA-N
Compound name
2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

369.15897 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16625 195.6
[M+Na]+ 392.14819 207.7
[M-H]- 368.15169 200.1
[M+NH4]+ 387.19279 205.3
[M+K]+ 408.12213 201.8
[M+H-H2O]+ 352.15623 183.9
[M+HCOO]- 414.15717 209.0
[M+CH3COO]- 428.17282 204.3
[M+Na-2H]- 390.13364 199.1
[M]+ 369.15842 195.1
[M]- 369.15952 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

literature stripe

Patent stripe

patents stripe