CID 9570890

Brn 4491272

Structural Information

Molecular Formula
C19H24N2OS
SMILES
CC1=CC=C(C=C1)C2=CC=C(S2)/C(=N/OCCN3CCCC3)/C
InChI
InChI=1S/C19H24N2OS/c1-15-5-7-17(8-6-15)19-10-9-18(23-19)16(2)20-22-14-13-21-11-3-4-12-21/h5-10H,3-4,11-14H2,1-2H3/b20-16+
InChIKey
XMQGIPYGMYPYEO-CAPFRKAQSA-N
Compound name
(E)-1-[5-(4-methylphenyl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethoxy)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.16095 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16823 180.6
[M+Na]+ 351.15017 186.5
[M-H]- 327.15367 190.4
[M+NH4]+ 346.19477 197.8
[M+K]+ 367.12411 182.4
[M+H-H2O]+ 311.15821 172.4
[M+HCOO]- 373.15915 199.4
[M+CH3COO]- 387.17480 210.7
[M+Na-2H]- 349.13562 176.9
[M]+ 328.16040 182.9
[M]- 328.16150 182.9
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.