CID 3151439

N-allyl-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C19H21N5O3
SMILES
COCCCN1C2=C(C=C(C1=N)C(=O)NCC=C)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C19H21N5O3/c1-3-8-21-18(25)13-12-14-17(24(16(13)20)10-6-11-27-2)22-15-7-4-5-9-23(15)19(14)26/h3-5,7,9,12,20H,1,6,8,10-11H2,2H3,(H,21,25)
InChIKey
XRKCIGJCYXZVQV-UHFFFAOYSA-N
Compound name
6-imino-7-(3-methoxypropyl)-2-oxo-N-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

0
References

0
Patents

367.16443 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17171 187.4
[M+Na]+ 390.15365 197.2
[M-H]- 366.15715 189.4
[M+NH4]+ 385.19825 197.5
[M+K]+ 406.12759 190.7
[M+H-H2O]+ 350.16169 177.0
[M+HCOO]- 412.16263 207.5
[M+CH3COO]- 426.17828 224.2
[M+Na-2H]- 388.13910 194.1
[M]+ 367.16388 192.3
[M]- 367.16498 192.3
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.