CID 1077337

510760-82-4

Structural Information

Molecular Formula
C23H23N5O3
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)C(=O)N5CCCCC5
InChI
InChI=1S/C23H23N5O3/c1-15-7-5-11-27-20(15)25-21-18(23(27)30)13-17(22(29)26-9-3-2-4-10-26)19(24)28(21)14-16-8-6-12-31-16/h5-8,11-13,24H,2-4,9-10,14H2,1H3
InChIKey
AIIWPZONBQWKQX-UHFFFAOYSA-N
Compound name
7-(furan-2-ylmethyl)-6-imino-11-methyl-5-(piperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

417.18008 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.18736 199.9
[M+Na]+ 440.16930 215.6
[M+NH4]+ 435.21390 205.6
[M+K]+ 456.14324 210.2
[M-H]- 416.17280 205.9
[M+Na-2H]- 438.15475 206.0
[M]+ 417.17953 203.8
[M]- 417.18063 203.8
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.