CID 219043

Brn 6523594

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CC(=O)NC1=CC2=C(C=C1)C3=NNC(=O)CC3CCC2
InChI
InChI=1S/C15H17N3O2/c1-9(19)16-12-5-6-13-10(7-12)3-2-4-11-8-14(20)17-18-15(11)13/h5-7,11H,2-4,8H2,1H3,(H,16,19)(H,17,20)
InChIKey
KTXZJVBDYSLVRN-UHFFFAOYSA-N
Compound name
N-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-13-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

271.13208 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 160.3
[M+Na]+ 294.121298 165.8
[M-H]- 270.124804 162.6
[M+NH4]+ 289.165903 174.3
[M+K]+ 310.095238 165.4
[M+H-H2O]+ 254.129340 152.7
[M+HCOO]- 316.130281 174.7
[M+CH3COO]- 330.145931 169.8
[M+Na-2H]- 292.106746 165.3
[M]+ 271.13153142 153.4
[M]- 271.13262858 153.4
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.