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]+ 384.155406 190.0
[M+Na]+ 406.137348 197.9
[M-H]- 382.140854 201.3
[M+NH4]+ 401.181953 202.3
[M+K]+ 422.111288 196.5
[M+H-H2O]+ 366.145390 181.6
[M+HCOO]- 428.146331 215.8
[M+CH3COO]- 442.161981 223.2
[M+Na-2H]- 404.122796 189.4
[M]+ 383.14758142 197.6
[M]- 383.14867858 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.