CID 17529505

949984-41-2

Structural Information

Molecular Formula
C15H17N3O2
SMILES
C1CCC2=NC3=C(N2CC1)N=C(C=C3C(=O)O)C4CC4
InChI
InChI=1S/C15H17N3O2/c19-15(20)10-8-11(9-5-6-9)16-14-13(10)17-12-4-2-1-3-7-18(12)14/h8-9H,1-7H2,(H,19,20)
InChIKey
JZCMQIIFGICSBM-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 163.7
[M+Na]+ 294.121298 173.0
[M-H]- 270.124804 168.8
[M+NH4]+ 289.165903 173.8
[M+K]+ 310.095238 170.2
[M+H-H2O]+ 254.129340 155.5
[M+HCOO]- 316.130281 179.3
[M+CH3COO]- 330.145931 173.6
[M+Na-2H]- 292.106746 166.7
[M]+ 271.13153142 162.8
[M]- 271.13262858 162.8
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.