CID 453347

133627-33-5

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CC1=C2C(=NC=C1)N(C3=C(C(=O)C=CN3)C(=O)N2)C4CC4
InChI
InChI=1S/C15H14N4O2/c1-8-4-6-17-14-12(8)18-15(21)11-10(20)5-7-16-13(11)19(14)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,16,20)(H,18,21)
InChIKey
IUXQNPCHCAMRPU-UHFFFAOYSA-N
Compound name
2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,13-pentaene-10,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

282.11166 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 174.8
[M+Na]+ 305.10088 186.1
[M-H]- 281.10438 177.6
[M+NH4]+ 300.14548 181.4
[M+K]+ 321.07482 181.7
[M+H-H2O]+ 265.10892 165.2
[M+HCOO]- 327.10986 188.1
[M+CH3COO]- 341.12551 183.5
[M+Na-2H]- 303.08633 179.0
[M]+ 282.11111 172.6
[M]- 282.11221 172.6
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.