CID 71756028

2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid hydrochloride

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]+ 261.08455 155.1
[M+Na]+ 283.06649 163.9
[M-H]- 259.06999 151.7
[M+NH4]+ 278.11109 169.8
[M+K]+ 299.04043 160.0
[M+H-H2O]+ 243.07453 145.7
[M+HCOO]- 305.07547 166.5
[M+CH3COO]- 319.09112 193.8
[M+Na-2H]- 281.05194 158.6
[M]+ 260.07672 149.5
[M]- 260.07782 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.