CID 706405

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

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC=C)C(=O)NC
InChI
InChI=1S/C17H17N5O2/c1-4-7-21-13(18)11(16(23)19-3)9-12-15(21)20-14-10(2)6-5-8-22(14)17(12)24/h4-6,8-9,18H,1,7H2,2-3H3,(H,19,23)
InChIKey
YICAOAUPPBJQBF-UHFFFAOYSA-N
Compound name
6-imino-N,11-dimethyl-2-oxo-7-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

2
References

0
Patents

323.1382 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 177.0
[M+Na]+ 346.12742 189.0
[M-H]- 322.13092 179.8
[M+NH4]+ 341.17202 189.4
[M+K]+ 362.10136 182.2
[M+H-H2O]+ 306.13546 167.5
[M+HCOO]- 368.13640 197.7
[M+CH3COO]- 382.15205 217.4
[M+Na-2H]- 344.11287 183.7
[M]+ 323.13765 180.4
[M]- 323.13875 180.4
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.