CID 135411077

N-[9-[(z)-4-(1,3-dioxoisoindolin-2-yl)but-2-enyl]-6-oxo-1h-purin-2-yl]acetamide

Structural Information

Molecular Formula
C19H16N6O4
SMILES
CC(=O)NC1=NC2=C(C(=O)N1)N=CN2C/C=C\CN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C19H16N6O4/c1-11(26)21-19-22-15-14(16(27)23-19)20-10-24(15)8-4-5-9-25-17(28)12-6-2-3-7-13(12)18(25)29/h2-7,10H,8-9H2,1H3,(H2,21,22,23,26,27)/b5-4-
InChIKey
CPJXNSNQOFRMQR-PLNGDYQASA-N
Compound name
N-[9-[(Z)-4-(1,3-dioxoisoindol-2-yl)but-2-enyl]-6-oxo-1H-purin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.1233 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.13058 192.5
[M+Na]+ 415.11252 203.3
[M-H]- 391.11602 195.4
[M+NH4]+ 410.15712 201.8
[M+K]+ 431.08646 196.2
[M+H-H2O]+ 375.12056 182.9
[M+HCOO]- 437.12150 209.4
[M+CH3COO]- 451.13715 201.5
[M+Na-2H]- 413.09797 192.8
[M]+ 392.12275 196.2
[M]- 392.12385 196.2
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.