CID 453310

133626-98-9

Structural Information

Molecular Formula
C15H14N4O
SMILES
C1CC(C1)N2C3=C(C=CC=N3)C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C15H14N4O/c20-15-11-6-2-8-16-13(11)19(10-4-1-5-10)14-12(18-15)7-3-9-17-14/h2-3,6-10H,1,4-5H2,(H,18,20)
InChIKey
QMGPHOZRAHZHDC-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

266.11676 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12404 162.5
[M+Na]+ 289.10598 170.1
[M-H]- 265.10948 165.2
[M+NH4]+ 284.15058 168.4
[M+K]+ 305.07992 169.7
[M+H-H2O]+ 249.11402 148.1
[M+HCOO]- 311.11496 175.0
[M+CH3COO]- 325.13061 171.4
[M+Na-2H]- 287.09143 168.7
[M]+ 266.11621 165.2
[M]- 266.11731 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.