CID 45051361

853351-23-2

Structural Information

Molecular Formula
C21H18N2O4
SMILES
CC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C
InChI
InChI=1S/C21H18N2O4/c1-14-6-9-19(15(2)12-14)22-21(24)11-8-18-7-10-20(27-18)16-4-3-5-17(13-16)23(25)26/h3-13H,1-2H3,(H,22,24)/b11-8+
InChIKey
YOQCKQIJWSNMMC-DHZHZOJOSA-N
Compound name
(E)-N-(2,4-dimethylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.12665 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13393 188.2
[M+Na]+ 385.11587 193.8
[M-H]- 361.11937 199.1
[M+NH4]+ 380.16047 199.6
[M+K]+ 401.08981 185.8
[M+H-H2O]+ 345.12391 183.8
[M+HCOO]- 407.12485 212.9
[M+CH3COO]- 421.14050 211.8
[M+Na-2H]- 383.10132 191.0
[M]+ 362.12610 188.5
[M]- 362.12720 188.6
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.