CID 1077471

488839-72-1

Structural Information

Molecular Formula
C19H17N5O3
SMILES
CCN1C2=C(C=C(C1=N)C(=O)NCC3=CC=CO3)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C19H17N5O3/c1-2-23-16(20)13(18(25)21-11-12-6-5-9-27-12)10-14-17(23)22-15-7-3-4-8-24(15)19(14)26/h3-10,20H,2,11H2,1H3,(H,21,25)
InChIKey
AEEXQYRMTSWYJA-UHFFFAOYSA-N
Compound name
7-ethyl-N-(furan-2-ylmethyl)-6-imino-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

2
References

0
Patents

363.13315 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14043 185.2
[M+Na]+ 386.12237 196.1
[M-H]- 362.12587 192.0
[M+NH4]+ 381.16697 195.7
[M+K]+ 402.09631 190.7
[M+H-H2O]+ 346.13041 174.8
[M+HCOO]- 408.13135 206.4
[M+CH3COO]- 422.14700 195.9
[M+Na-2H]- 384.10782 191.5
[M]+ 363.13260 189.8
[M]- 363.13370 189.8
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.