CID 1552164

304435-61-8

Structural Information

Molecular Formula
C17H18F7N3O3
SMILES
CC1(CC2=CC(=C(C=C2C(=N1)NNC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)OC)C
InChI
InChI=1S/C17H18F7N3O3/c1-14(2)7-8-5-10(29-3)11(30-4)6-9(8)12(25-14)26-27-13(28)15(18,19)16(20,21)17(22,23)24/h5-6H,7H2,1-4H3,(H,25,26)(H,27,28)
InChIKey
AFOVRKBVJMNTSC-UHFFFAOYSA-N
Compound name
N'-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-2,2,3,3,4,4,4-heptafluorobutanehydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

445.12363 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.13091 197.8
[M+Na]+ 468.11285 206.6
[M-H]- 444.11635 192.4
[M+NH4]+ 463.15745 208.6
[M+K]+ 484.08679 203.1
[M+H-H2O]+ 428.12089 185.9
[M+HCOO]- 490.12183 206.1
[M+CH3COO]- 504.13748 234.1
[M+Na-2H]- 466.09830 201.6
[M]+ 445.12308 191.3
[M]- 445.12418 191.3
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.