CID 3151407

510762-43-3

Structural Information

Molecular Formula
C23H23N5O3
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCOC)C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C23H23N5O3/c1-15-7-6-10-28-20(15)26-21-18(23(28)30)13-17(19(24)27(21)11-12-31-2)22(29)25-14-16-8-4-3-5-9-16/h3-10,13,24H,11-12,14H2,1-2H3,(H,25,29)
InChIKey
OBWJIJMITBQPHF-UHFFFAOYSA-N
Compound name
N-benzyl-6-imino-7-(2-methoxyethyl)-11-methyl-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 201.0
[M+Na]+ 440.16930 217.1
[M+NH4]+ 435.21390 206.3
[M+K]+ 456.14324 208.7
[M-H]- 416.17280 205.4
[M+Na-2H]- 438.15475 208.3
[M]+ 417.17953 204.5
[M]- 417.18063 204.5
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.