CID 6889099

3-(1,2,3,4-tetrahydro-9h-carbazol-9-yl)-n'-(2-thienylmethylene)propanohydrazide

Structural Information

Molecular Formula
C20H21N3OS
SMILES
C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)N/N=C/C4=CC=CS4
InChI
InChI=1S/C20H21N3OS/c24-20(22-21-14-15-6-5-13-25-15)11-12-23-18-9-3-1-7-16(18)17-8-2-4-10-19(17)23/h1,3,5-7,9,13-14H,2,4,8,10-12H2,(H,22,24)/b21-14+
InChIKey
PHNNUJBJDIUZNW-KGENOOAVSA-N
Compound name
3-(1,2,3,4-tetrahydrocarbazol-9-yl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14053 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.147806 181.3
[M+Na]+ 374.129748 188.5
[M-H]- 350.133254 189.9
[M+NH4]+ 369.174353 199.4
[M+K]+ 390.103688 182.9
[M+H-H2O]+ 334.137790 173.8
[M+HCOO]- 396.138731 200.6
[M+CH3COO]- 410.154381 192.2
[M+Na-2H]- 372.115196 182.8
[M]+ 351.13998142 184.3
[M]- 351.14107858 184.3
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.