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]+ 272.13936 160.3
[M+Na]+ 294.12130 165.8
[M-H]- 270.12480 162.6
[M+NH4]+ 289.16590 174.3
[M+K]+ 310.09524 165.4
[M+H-H2O]+ 254.12934 152.7
[M+HCOO]- 316.13028 174.7
[M+CH3COO]- 330.14593 169.8
[M+Na-2H]- 292.10675 165.3
[M]+ 271.13153 153.4
[M]- 271.13263 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.