CID 2927731

618410-29-0

Structural Information

Molecular Formula
C25H27N5O4
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCOCCO)C(=O)NC(C)C4=CC=CC=C4
InChI
InChI=1S/C25H27N5O4/c1-16-7-6-10-30-22(16)28-23-20(25(30)33)15-19(21(26)29(23)11-13-34-14-12-31)24(32)27-17(2)18-8-4-3-5-9-18/h3-10,15,17,26,31H,11-14H2,1-2H3,(H,27,32)
InChIKey
PEXYGTGBKFPLPU-UHFFFAOYSA-N
Compound name
7-[2-(2-hydroxyethoxy)ethyl]-6-imino-11-methyl-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

6
References

0
Patents

461.2063 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.21358 212.1
[M+Na]+ 484.19552 226.3
[M+NH4]+ 479.24012 216.0
[M+K]+ 500.16946 219.2
[M-H]- 460.19902 215.3
[M+Na-2H]- 482.18097 217.6
[M]+ 461.20575 214.8
[M]- 461.20685 214.8
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.