CID 51594

72469-12-6

Structural Information

Molecular Formula
C18H23F3N2O
SMILES
CN1CC[C@H]2[C@H](C1)CCCC2NC(=O)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C18H23F3N2O/c1-23-10-9-15-13(11-23)3-2-4-16(15)22-17(24)12-5-7-14(8-6-12)18(19,20)21/h5-8,13,15-16H,2-4,9-11H2,1H3,(H,22,24)/t13-,15-,16?/m0/s1
InChIKey
VAZHUCJZNBKCDN-JFXOEICMSA-N
Compound name
N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17624 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18352 180.4
[M+Na]+ 363.16546 184.1
[M-H]- 339.16896 180.9
[M+NH4]+ 358.21006 192.8
[M+K]+ 379.13940 178.9
[M+H-H2O]+ 323.17350 169.1
[M+HCOO]- 385.17444 190.1
[M+CH3COO]- 399.19009 213.7
[M+Na-2H]- 361.15091 180.5
[M]+ 340.17569 169.5
[M]- 340.17679 169.5
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.