CID 3151312

510761-05-4

Structural Information

Molecular Formula
C22H21N5O4
SMILES
C1CC(OC1)CN2C3=C(C=C(C2=N)C(=O)NCC4=CC=CO4)C(=O)N5C=CC=CC5=N3
InChI
InChI=1S/C22H21N5O4/c23-19-16(21(28)24-12-14-5-3-9-30-14)11-17-20(27(19)13-15-6-4-10-31-15)25-18-7-1-2-8-26(18)22(17)29/h1-3,5,7-9,11,15,23H,4,6,10,12-13H2,(H,24,28)
InChIKey
YSKGUEJFZJXOGS-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-6-imino-2-oxo-7-(oxolan-2-ylmethyl)-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

419.15936 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.16664 197.3
[M+Na]+ 442.14858 210.7
[M+NH4]+ 437.19318 202.6
[M+K]+ 458.12252 208.7
[M-H]- 418.15208 204.5
[M+Na-2H]- 440.13403 202.3
[M]+ 419.15881 201.0
[M]- 419.15991 201.0
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.