CID 1077380

510761-25-8

Structural Information

Molecular Formula
C20H17N5O3
SMILES
C=CCN1C2=C(C=C(C1=N)C(=O)NCC3=CC=CO3)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C20H17N5O3/c1-2-8-25-17(21)14(19(26)22-12-13-6-5-10-28-13)11-15-18(25)23-16-7-3-4-9-24(16)20(15)27/h2-7,9-11,21H,1,8,12H2,(H,22,26)
InChIKey
VEJXBZWZSFHFHC-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-6-imino-2-oxo-7-prop-2-enyl-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

375.13315 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14043 187.6
[M+Na]+ 398.12237 202.4
[M+NH4]+ 393.16697 192.9
[M+K]+ 414.09631 197.3
[M-H]- 374.12587 192.2
[M+Na-2H]- 396.10782 193.5
[M]+ 375.13260 190.8
[M]- 375.13370 190.8
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.