CID 2927571

510762-90-0

Structural Information

Molecular Formula
C19H22N4O4
SMILES
CCOCCCN1C2=C(C=C(C1=N)C(=O)OCC)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C19H22N4O4/c1-3-26-11-7-10-23-16(20)13(19(25)27-4-2)12-14-17(23)21-15-8-5-6-9-22(15)18(14)24/h5-6,8-9,12,20H,3-4,7,10-11H2,1-2H3
InChIKey
NUEJSROQNHJIIW-UHFFFAOYSA-N
Compound name
ethyl 7-(3-ethoxypropyl)-6-imino-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

370.1641 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17138 187.3
[M+Na]+ 393.15332 201.7
[M+NH4]+ 388.19792 192.1
[M+K]+ 409.12726 194.7
[M-H]- 369.15682 188.1
[M+Na-2H]- 391.13877 191.8
[M]+ 370.16355 189.4
[M]- 370.16465 189.4
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.