CID 1077319

510760-62-0

Structural Information

Molecular Formula
C19H16N4O4
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)C(=O)OC
InChI
InChI=1S/C19H16N4O4/c1-11-5-3-7-22-16(11)21-17-14(18(22)24)9-13(19(25)26-2)15(20)23(17)10-12-6-4-8-27-12/h3-9,20H,10H2,1-2H3
InChIKey
DDBMDXVXDKTKRM-UHFFFAOYSA-N
Compound name
methyl 7-(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-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.11716 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12444 184.1
[M+Na]+ 387.10638 200.3
[M+NH4]+ 382.15098 189.7
[M+K]+ 403.08032 195.7
[M-H]- 363.10988 188.3
[M+Na-2H]- 385.09183 189.9
[M]+ 364.11661 187.6
[M]- 364.11771 187.6
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.