CID 3151448

510762-73-9

Structural Information

Molecular Formula
C23H23N5O3
SMILES
COCCCN1C2=C(C=C(C1=N)C(=O)NCC3=CC=CC=C3)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C23H23N5O3/c1-31-13-7-12-28-20(24)17(22(29)25-15-16-8-3-2-4-9-16)14-18-21(28)26-19-10-5-6-11-27(19)23(18)30/h2-6,8-11,14,24H,7,12-13,15H2,1H3,(H,25,29)
InChIKey
FZQZXILZTWISQD-UHFFFAOYSA-N
Compound name
N-benzyl-6-imino-7-(3-methoxypropyl)-2-oxo-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

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.18736 200.3
[M+Na]+ 440.16930 216.0
[M+NH4]+ 435.21390 205.6
[M+K]+ 456.14324 207.4
[M-H]- 416.17280 204.5
[M+Na-2H]- 438.15475 207.9
[M]+ 417.17953 203.6
[M]- 417.18063 203.6
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.