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 183.1
[M+Na]+ 372.16824 188.4
[M-H]- 348.17174 192.0
[M+NH4]+ 367.21284 198.7
[M+K]+ 388.14218 185.0
[M+H-H2O]+ 332.17628 174.7
[M+HCOO]- 394.17722 204.8
[M+CH3COO]- 408.19287 193.6
[M+Na-2H]- 370.15369 185.3
[M]+ 349.17847 184.8
[M]- 349.17957 184.8
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.