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

literature stripe

Patent stripe

patents stripe