CID 2246899

N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-2,2,3,3,4,4,4-heptafluorobutanehydrazide

Structural Information

Molecular Formula
C15H14F7N3O
SMILES
CC1(CC2=CC=CC=C2C(=N1)NNC(=O)C(C(C(F)(F)F)(F)F)(F)F)C
InChI
InChI=1S/C15H14F7N3O/c1-12(2)7-8-5-3-4-6-9(8)10(23-12)24-25-11(26)13(16,17)14(18,19)15(20,21)22/h3-6H,7H2,1-2H3,(H,23,24)(H,25,26)
InChIKey
URBCHCXZUQVVLP-UHFFFAOYSA-N
Compound name
N'-(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

385.1025 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10978 182.7
[M+Na]+ 408.09172 191.0
[M-H]- 384.09522 177.0
[M+NH4]+ 403.13632 195.5
[M+K]+ 424.06566 186.3
[M+H-H2O]+ 368.09976 170.8
[M+HCOO]- 430.10070 191.4
[M+CH3COO]- 444.11635 221.6
[M+Na-2H]- 406.07717 188.1
[M]+ 385.10195 171.9
[M]- 385.10305 171.9
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.