CID 465260

Tibo, 7-me deriv.

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC1C2=C3C(=CC=C2)NC(=O)N3CCN1
InChI
InChI=1S/C11H13N3O/c1-7-8-3-2-4-9-10(8)14(6-5-12-7)11(15)13-9/h2-4,7,12H,5-6H2,1H3,(H,13,15)
InChIKey
TYSHLILDWSOVAA-UHFFFAOYSA-N
Compound name
9-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

203.10587 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 144.1
[M+Na]+ 226.09509 153.8
[M-H]- 202.09859 144.8
[M+NH4]+ 221.13969 161.6
[M+K]+ 242.06903 151.7
[M+H-H2O]+ 186.10313 136.9
[M+HCOO]- 248.10407 160.3
[M+CH3COO]- 262.11972 155.7
[M+Na-2H]- 224.08054 150.4
[M]+ 203.10532 140.6
[M]- 203.10642 140.6
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

patents stripe