CID 1077328

510760-74-4

Structural Information

Molecular Formula
C23H19N5O4
SMILES
CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)C(=O)NCC5=CC=CO5)C=C1
InChI
InChI=1S/C23H19N5O4/c1-14-6-7-19-26-21-18(23(30)27(19)12-14)10-17(22(29)25-11-15-4-2-8-31-15)20(24)28(21)13-16-5-3-9-32-16/h2-10,12,24H,11,13H2,1H3,(H,25,29)
InChIKey
SNXWDPLAXCMDSI-UHFFFAOYSA-N
Compound name
N,7-bis(furan-2-ylmethyl)-6-imino-13-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

8
References

0
Patents

429.1437 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.15098 200.7
[M+Na]+ 452.13292 216.9
[M+NH4]+ 447.17752 206.0
[M+K]+ 468.10686 214.1
[M-H]- 428.13642 208.6
[M+Na-2H]- 450.11837 207.6
[M]+ 429.14315 205.3
[M]- 429.14425 205.3
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.