CID 135450275

187884-92-0

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CC[C@H](C)[C@@H](C(=O)O)N=C1C2=CC=CC=C2CC(N1)(C)C
InChI
InChI=1S/C17H24N2O2/c1-5-11(2)14(16(20)21)18-15-13-9-7-6-8-12(13)10-17(3,4)19-15/h6-9,11,14H,5,10H2,1-4H3,(H,18,19)(H,20,21)/t11-,14-/m0/s1
InChIKey
HQLQNZBYCXGLRP-FZMZJTMJSA-N
Compound name
(2S,3S)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 170.0
[M+Na]+ 311.17300 174.6
[M-H]- 287.17650 170.9
[M+NH4]+ 306.21760 186.3
[M+K]+ 327.14694 171.2
[M+H-H2O]+ 271.18104 163.4
[M+HCOO]- 333.18198 184.8
[M+CH3COO]- 347.19763 204.9
[M+Na-2H]- 309.15845 171.4
[M]+ 288.18323 167.2
[M]- 288.18433 167.2
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.