CID 3151415

510762-51-3

Structural Information

Molecular Formula
C23H23N5O3
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCOC
InChI
InChI=1S/C23H23N5O3/c1-15(16-8-4-3-5-9-16)25-22(29)17-14-18-21(28(20(17)24)12-13-31-2)26-19-10-6-7-11-27(19)23(18)30/h3-11,14-15,24H,12-13H2,1-2H3,(H,25,29)
InChIKey
LOCGOXYYGAUFBX-UHFFFAOYSA-N
Compound name
6-imino-7-(2-methoxyethyl)-2-oxo-N-(1-phenylethyl)-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

417.18008 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.18736 199.4
[M+Na]+ 440.16930 214.7
[M+NH4]+ 435.21390 204.6
[M+K]+ 456.14324 207.1
[M-H]- 416.17280 203.5
[M+Na-2H]- 438.15475 206.8
[M]+ 417.17953 202.6
[M]- 417.18063 202.6
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.