CID 470694

Bdbm2044

Structural Information

Molecular Formula
C20H19N5O2
SMILES
CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)COC4=CC=NC=C4)C
InChI
InChI=1S/C20H19N5O2/c1-3-25-18-16(20(26)24(2)17-5-4-8-22-19(17)25)11-14(12-23-18)13-27-15-6-9-21-10-7-15/h4-12H,3,13H2,1-2H3
InChIKey
LZPSTBKXZZSDCN-UHFFFAOYSA-N
Compound name
2-ethyl-9-methyl-13-(pyridin-4-yloxymethyl)-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

2
References

0
Patents

361.15387 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16115 191.5
[M+Na]+ 384.14309 201.5
[M-H]- 360.14659 195.0
[M+NH4]+ 379.18769 199.0
[M+K]+ 400.11703 198.6
[M+H-H2O]+ 344.15113 178.5
[M+HCOO]- 406.15207 205.1
[M+CH3COO]- 420.16772 199.9
[M+Na-2H]- 382.12854 196.9
[M]+ 361.15332 191.8
[M]- 361.15442 191.8
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.