CID 24212766

853329-59-6

Structural Information

Molecular Formula
C20H17ClN2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C20H17ClN2O4/c1-13-5-6-15(12-18(13)21)22-20(24)10-8-17-7-9-19(27-17)14-3-2-4-16(11-14)23(25)26/h2-7,9,11-12H,8,10H2,1H3,(H,22,24)
InChIKey
OKRJKVWUHLRJLS-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.08768 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09496 193.8
[M+Na]+ 407.07690 199.7
[M-H]- 383.08040 204.1
[M+NH4]+ 402.12150 205.0
[M+K]+ 423.05084 191.1
[M+H-H2O]+ 367.08494 190.0
[M+HCOO]- 429.08588 213.8
[M+CH3COO]- 443.10153 213.9
[M+Na-2H]- 405.06235 196.1
[M]+ 384.08713 196.9
[M]- 384.08823 196.9
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.