CID 3491579

489424-16-0

Structural Information

Molecular Formula
C24H23N5O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC=C)C(=O)NCCC4=CC=CC=C4
InChI
InChI=1S/C24H23N5O2/c1-3-13-28-20(25)18(23(30)26-12-11-17-9-5-4-6-10-17)15-19-22(28)27-21-16(2)8-7-14-29(21)24(19)31/h3-10,14-15,25H,1,11-13H2,2H3,(H,26,30)
InChIKey
QAOBCSTVPWLHNO-UHFFFAOYSA-N
Compound name
6-imino-11-methyl-2-oxo-N-(2-phenylethyl)-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

413.18518 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19246 201.1
[M+Na]+ 436.17440 217.5
[M+NH4]+ 431.21900 206.6
[M+K]+ 452.14834 208.3
[M-H]- 412.17790 205.6
[M+Na-2H]- 434.15985 208.5
[M]+ 413.18463 204.7
[M]- 413.18573 204.7
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

No patent data available for this compound.