CID 377541

Nsc659108

Structural Information

Molecular Formula
C25H20N2O3
SMILES
CC1=CC=C(C=C1)C2=C(OC(=C2[N+](=O)[O-])C=NC3=CC=CC=C3)C4=CC=C(C=C4)C
InChI
InChI=1S/C25H20N2O3/c1-17-8-12-19(13-9-17)23-24(27(28)29)22(16-26-21-6-4-3-5-7-21)30-25(23)20-14-10-18(2)11-15-20/h3-16H,1-2H3
InChIKey
YHIAXMWOWGCPTE-UHFFFAOYSA-N
Compound name
1-[4,5-bis(4-methylphenyl)-3-nitrofuran-2-yl]-N-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1474 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15468 199.6
[M+Na]+ 419.13662 205.7
[M-H]- 395.14012 214.6
[M+NH4]+ 414.18122 209.9
[M+K]+ 435.11056 196.9
[M+H-H2O]+ 379.14466 193.3
[M+HCOO]- 441.14560 225.8
[M+CH3COO]- 455.16125 222.2
[M+Na-2H]- 417.12207 202.7
[M]+ 396.14685 200.6
[M]- 396.14795 200.6
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.