CID 3151371

510762-24-0

Structural Information

Molecular Formula
C22H23N5O3
SMILES
CCCCN1C2=C(C=C(C1=N)C(=O)NCC3=CC=CO3)C(=O)N4C=CC=C(C4=N2)C
InChI
InChI=1S/C22H23N5O3/c1-3-4-9-26-18(23)16(21(28)24-13-15-8-6-11-30-15)12-17-20(26)25-19-14(2)7-5-10-27(19)22(17)29/h5-8,10-12,23H,3-4,9,13H2,1-2H3,(H,24,28)
InChIKey
WRLBYUCYWSBHTR-UHFFFAOYSA-N
Compound name
7-butyl-N-(furan-2-ylmethyl)-6-imino-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

0
References

0
Patents

405.18008 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.18736 198.5
[M+Na]+ 428.16930 213.2
[M+NH4]+ 423.21390 203.6
[M+K]+ 444.14324 207.8
[M-H]- 404.17280 203.3
[M+Na-2H]- 426.15475 203.6
[M]+ 405.17953 201.8
[M]- 405.18063 201.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.