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]+ 324.145476 177.0
[M+Na]+ 346.127418 189.0
[M-H]- 322.130924 179.8
[M+NH4]+ 341.172023 189.4
[M+K]+ 362.101358 182.2
[M+H-H2O]+ 306.135460 167.5
[M+HCOO]- 368.136401 197.7
[M+CH3COO]- 382.152051 217.4
[M+Na-2H]- 344.112866 183.7
[M]+ 323.13765142 180.4
[M]- 323.13874858 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.