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]+ 352.14781 181.3
[M+Na]+ 374.12975 188.5
[M-H]- 350.13325 189.9
[M+NH4]+ 369.17435 199.4
[M+K]+ 390.10369 182.9
[M+H-H2O]+ 334.13779 173.8
[M+HCOO]- 396.13873 200.6
[M+CH3COO]- 410.15438 192.2
[M+Na-2H]- 372.11520 182.8
[M]+ 351.13998 184.3
[M]- 351.14108 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.