CID 3151428

510762-59-1

Structural Information

Molecular Formula
C19H22N4O4
SMILES
CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CCCOC
InChI
InChI=1S/C19H22N4O4/c1-4-27-19(25)13-11-14-17(22(15(13)20)9-6-10-26-3)21-16-12(2)7-5-8-23(16)18(14)24/h5,7-8,11,20H,4,6,9-10H2,1-3H3
InChIKey
WDCHIYWMMFGYKR-UHFFFAOYSA-N
Compound name
ethyl 6-imino-7-(3-methoxypropyl)-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

370.1641 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17138 188.7
[M+Na]+ 393.15332 199.8
[M-H]- 369.15682 191.1
[M+NH4]+ 388.19792 199.3
[M+K]+ 409.12726 194.6
[M+H-H2O]+ 353.16136 178.4
[M+HCOO]- 415.16230 207.7
[M+CH3COO]- 429.17795 223.2
[M+Na-2H]- 391.13877 193.9
[M]+ 370.16355 196.8
[M]- 370.16465 196.8
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.