CID 71756028

1384707-94-1

Structural Information

Molecular Formula
C11H11F3N2O2
SMILES
CC1=NC2=C(CC(CC2)C(=O)O)C(=N1)C(F)(F)F
InChI
InChI=1S/C11H11F3N2O2/c1-5-15-8-3-2-6(10(17)18)4-7(8)9(16-5)11(12,13)14/h6H,2-4H2,1H3,(H,17,18)
InChIKey
JIMLTWCFBZCLRR-UHFFFAOYSA-N
Compound name
2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.07727 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.084546 155.1
[M+Na]+ 283.066488 163.9
[M-H]- 259.069994 151.7
[M+NH4]+ 278.111093 169.8
[M+K]+ 299.040428 160.0
[M+H-H2O]+ 243.074530 145.7
[M+HCOO]- 305.075471 166.5
[M+CH3COO]- 319.091121 193.8
[M+Na-2H]- 281.051936 158.6
[M]+ 260.07672142 149.5
[M]- 260.07781858 149.5
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.