CID 1077317

Gnf-pf-2503

Structural Information

Molecular Formula
C26H27N5O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CC=C4)C(=O)NC5CCCC5
InChI
InChI=1S/C26H27N5O2/c1-17-8-7-14-31-23(17)29-24-21(26(31)33)16-20(25(32)28-19-11-5-6-12-19)22(27)30(24)15-13-18-9-3-2-4-10-18/h2-4,7-10,14,16,19,27H,5-6,11-13,15H2,1H3,(H,28,32)
InChIKey
NGBJLEBDOLJKNS-UHFFFAOYSA-N
Compound name
N-cyclopentyl-6-imino-11-methyl-2-oxo-7-(2-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

10
References

0
Patents

441.21646 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.22374 208.0
[M+Na]+ 464.20568 223.0
[M+NH4]+ 459.25028 214.2
[M+K]+ 480.17962 216.0
[M-H]- 440.20918 214.3
[M+Na-2H]- 462.19113 215.5
[M]+ 441.21591 211.8
[M]- 441.21701 211.8
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.