CID 9556893

612047-98-0

Structural Information

Molecular Formula
C21H23N3O2
SMILES
C/C(=N\NC(=O)CCN1C2=C(CCCC2)C3=CC=CC=C31)/C4=CC=CO4
InChI
InChI=1S/C21H23N3O2/c1-15(20-11-6-14-26-20)22-23-21(25)12-13-24-18-9-4-2-7-16(18)17-8-3-5-10-19(17)24/h2,4,6-7,9,11,14H,3,5,8,10,12-13H2,1H3,(H,23,25)/b22-15+
InChIKey
HGPPYUYJRLLLIH-PXLXIMEGSA-N
Compound name
N-[(E)-1-(furan-2-yl)ethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 183.8
[M+Na]+ 372.16824 194.5
[M+NH4]+ 367.21284 191.6
[M+K]+ 388.14218 191.1
[M-H]- 348.17174 189.6
[M+Na-2H]- 370.15369 188.6
[M]+ 349.17847 186.7
[M]- 349.17957 186.7
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.