CID 5468707

Nsc674715

Structural Information

Molecular Formula
C18H17FN2O2
SMILES
CC1=CC2=C(C=C1C)OCC/C(=N/NC3=CC=C(C=C3)F)/C2=O
InChI
InChI=1S/C18H17FN2O2/c1-11-9-15-17(10-12(11)2)23-8-7-16(18(15)22)21-20-14-5-3-13(19)4-6-14/h3-6,9-10,20H,7-8H2,1-2H3/b21-16-
InChIKey
DEZGTXPIOVWETH-PGMHBOJBSA-N
Compound name
(4Z)-4-[(4-fluorophenyl)hydrazinylidene]-7,8-dimethyl-2,3-dihydro-1-benzoxepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1274 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13468 170.9
[M+Na]+ 335.11662 177.9
[M-H]- 311.12012 180.6
[M+NH4]+ 330.16122 185.0
[M+K]+ 351.09056 179.5
[M+H-H2O]+ 295.12466 163.2
[M+HCOO]- 357.12560 192.5
[M+CH3COO]- 371.14125 215.1
[M+Na-2H]- 333.10207 175.4
[M]+ 312.12685 167.8
[M]- 312.12795 167.8
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.