CID 2808824

Ccg-240342

Structural Information

Molecular Formula
C20H21N3O5
SMILES
CC1=CC=C(N1C2=CC(=C(C=C2C(=O)NNC(=O)C3=CC=CO3)OC)OC)C
InChI
InChI=1S/C20H21N3O5/c1-12-7-8-13(2)23(12)15-11-18(27-4)17(26-3)10-14(15)19(24)21-22-20(25)16-6-5-9-28-16/h5-11H,1-4H3,(H,21,24)(H,22,25)
InChIKey
KVPUGSOMRNMIRF-UHFFFAOYSA-N
Compound name
N'-[2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethoxybenzoyl]furan-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

383.14813 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15541 190.0
[M+Na]+ 406.13735 197.9
[M-H]- 382.14085 201.3
[M+NH4]+ 401.18195 202.3
[M+K]+ 422.11129 196.5
[M+H-H2O]+ 366.14539 181.6
[M+HCOO]- 428.14633 215.8
[M+CH3COO]- 442.16198 223.2
[M+Na-2H]- 404.12280 189.4
[M]+ 383.14758 197.6
[M]- 383.14868 197.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.