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 165.3
[M+Na]+ 333.15734 172.0
[M-H]- 309.16084 173.4
[M+NH4]+ 328.20194 178.2
[M+K]+ 349.13128 166.3
[M+H-H2O]+ 293.16538 158.4
[M+HCOO]- 355.16632 187.3
[M+CH3COO]- 369.18197 175.9
[M+Na-2H]- 331.14279 170.2
[M]+ 310.16757 167.6
[M]- 310.16867 167.6
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.