CID 6888781

N'-(2,6-di-cl-benzylidene)3(1,2,3,4-tetrahydro-9h-carbazol-9-yl)propanohydrazide

Structural Information

Molecular Formula
C22H21Cl2N3O
SMILES
C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)N/N=C/C4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C22H21Cl2N3O/c23-18-8-5-9-19(24)17(18)14-25-26-22(28)12-13-27-20-10-3-1-6-15(20)16-7-2-4-11-21(16)27/h1,3,5-6,8-10,14H,2,4,7,11-13H2,(H,26,28)/b25-14+
InChIKey
AXYRWNUJXQRIOT-AFUMVMLFSA-N
Compound name
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.10617 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11345 199.1
[M+Na]+ 436.09539 207.5
[M-H]- 412.09889 206.1
[M+NH4]+ 431.13999 213.5
[M+K]+ 452.06933 198.9
[M+H-H2O]+ 396.10343 190.3
[M+HCOO]- 458.10437 211.4
[M+CH3COO]- 472.12002 208.3
[M+Na-2H]- 434.08084 200.9
[M]+ 413.10562 203.3
[M]- 413.10672 203.3
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.