CID 6914412

3-(3-(cyclopropylamino)-2-hydroxypropoxyimino)-2,3-dihydro-1h-benz(e)indene hydrochloride

Structural Information

Molecular Formula
C19H22N2O2
SMILES
C1CC1NCC(CO/N=C\2/CCC3=C2C=CC4=CC=CC=C34)O
InChI
InChI=1S/C19H22N2O2/c22-15(11-20-14-6-7-14)12-23-21-19-10-9-17-16-4-2-1-3-13(16)5-8-18(17)19/h1-5,8,14-15,20,22H,6-7,9-12H2/b21-19-
InChIKey
JENDHJCGTHYKDX-VZCXRCSSSA-N
Compound name
1-(cyclopropylamino)-3-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 172.1
[M+Na]+ 333.15734 184.0
[M+NH4]+ 328.20194 181.5
[M+K]+ 349.13128 179.4
[M-H]- 309.16084 183.8
[M+Na-2H]- 331.14279 179.8
[M]+ 310.16757 178.1
[M]- 310.16867 178.1
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.