CID 165861260

4-{[(tert-butoxy)carbonyl]amino}-1,2,3,4-tetrahydroquinoline-8-carboxylic acid

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CC(C)(C)OC(=O)NC1CCNC2=C1C=CC=C2C(=O)O
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-11-7-8-16-12-9(11)5-4-6-10(12)13(18)19/h4-6,11,16H,7-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
QKGCIHRUTFKDCS-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.149576 167.5
[M+Na]+ 315.131518 172.0
[M-H]- 291.135024 167.3
[M+NH4]+ 310.176123 180.9
[M+K]+ 331.105458 169.3
[M+H-H2O]+ 275.139560 160.9
[M+HCOO]- 337.140501 181.3
[M+CH3COO]- 351.156151 199.6
[M+Na-2H]- 313.116966 170.8
[M]+ 292.14175142 164.7
[M]- 292.14284858 164.7
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.