CID 49768247

Schembl20259394

Structural Information

Molecular Formula
C19H18ClN3O3
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NN
InChI
InChI=1S/C19H18ClN3O3/c1-11-15(10-18(24)22-21)16-9-14(26-2)7-8-17(16)23(11)19(25)12-3-5-13(20)6-4-12/h3-9H,10,21H2,1-2H3,(H,22,24)
InChIKey
DHHRWMSAAFCUCF-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

371.10367 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11095 187.3
[M+Na]+ 394.09289 197.2
[M-H]- 370.09639 194.4
[M+NH4]+ 389.13749 201.6
[M+K]+ 410.06683 191.3
[M+H-H2O]+ 354.10093 179.6
[M+HCOO]- 416.10187 206.4
[M+CH3COO]- 430.11752 221.1
[M+Na-2H]- 392.07834 187.8
[M]+ 371.10312 193.1
[M]- 371.10422 193.1
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.