CID 3151330

510761-34-9

Structural Information

Molecular Formula
C23H21N5O2
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC=C
InChI
InChI=1S/C23H21N5O2/c1-3-12-28-20(24)17(22(29)25-15(2)16-9-5-4-6-10-16)14-18-21(28)26-19-11-7-8-13-27(19)23(18)30/h3-11,13-15,24H,1,12H2,2H3,(H,25,29)
InChIKey
KOFMDVVOBPGWTF-UHFFFAOYSA-N
Compound name
6-imino-2-oxo-N-(1-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

399.16953 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.17681 195.1
[M+Na]+ 422.15875 211.0
[M+NH4]+ 417.20335 200.7
[M+K]+ 438.13269 202.7
[M-H]- 398.16225 199.5
[M+Na-2H]- 420.14420 202.9
[M]+ 399.16898 198.5
[M]- 399.17008 198.5
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.