CID 135416216

187884-88-4

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CC1(CC2=CC=CC=C2C(=NCCCCCC(=O)O)N1)C
InChI
InChI=1S/C17H24N2O2/c1-17(2)12-13-8-5-6-9-14(13)16(19-17)18-11-7-3-4-10-15(20)21/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,18,19)(H,20,21)
InChIKey
OMUPUTZSPUEWKZ-UHFFFAOYSA-N
Compound name
6-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 170.7
[M+Na]+ 311.17300 180.8
[M+NH4]+ 306.21760 178.8
[M+K]+ 327.14694 172.0
[M-H]- 287.17650 171.9
[M+Na-2H]- 309.15845 175.4
[M]+ 288.18323 172.3
[M]- 288.18433 172.3
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.