CID 3151313

510761-08-7

Structural Information

Molecular Formula
C24H23N5O3
SMILES
C1CC(OC1)CN2C3=C(C=C(C2=N)C(=O)NCC4=CC=CC=C4)C(=O)N5C=CC=CC5=N3
InChI
InChI=1S/C24H23N5O3/c25-21-18(23(30)26-14-16-7-2-1-3-8-16)13-19-22(29(21)15-17-9-6-12-32-17)27-20-10-4-5-11-28(20)24(19)31/h1-5,7-8,10-11,13,17,25H,6,9,12,14-15H2,(H,26,30)
InChIKey
RPBCPSYFNQCJEU-UHFFFAOYSA-N
Compound name
N-benzyl-6-imino-2-oxo-7-(oxolan-2-ylmethyl)-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

429.18008 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.18736 202.4
[M+Na]+ 452.16930 217.4
[M+NH4]+ 447.21390 208.3
[M+K]+ 468.14324 211.5
[M-H]- 428.17280 209.5
[M+Na-2H]- 450.15475 209.6
[M]+ 429.17953 206.4
[M]- 429.18063 206.4
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.