CID 3151434

2-imino-1-(3-methoxypropyl)-n,10-dimethyl-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C18H21N5O3
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=O)NC
InChI
InChI=1S/C18H21N5O3/c1-11-6-4-7-23-15(11)21-16-13(18(23)25)10-12(17(24)20-2)14(19)22(16)8-5-9-26-3/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,24)
InChIKey
PICLWWWOQJOTMO-UHFFFAOYSA-N
Compound name
6-imino-7-(3-methoxypropyl)-N,11-dimethyl-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

355.16443 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.171706 185.2
[M+Na]+ 378.153648 196.2
[M-H]- 354.157154 187.8
[M+NH4]+ 373.198253 196.3
[M+K]+ 394.127588 190.5
[M+H-H2O]+ 338.161690 175.2
[M+HCOO]- 400.162631 205.5
[M+CH3COO]- 414.178281 223.3
[M+Na-2H]- 376.139096 191.6
[M]+ 355.16388142 191.0
[M]- 355.16497858 191.0
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.