CID 6448177

83495-08-3

Structural Information

Molecular Formula
C26H21N3O7
SMILES
COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)[N+](=O)[O-])OC)C(=O)OC
InChI
InChI=1S/C26H21N3O7/c1-34-22-14-16(9-11-19(22)26(31)36-3)13-20-25(30)28(24(27-20)17-7-5-4-6-8-17)21-12-10-18(29(32)33)15-23(21)35-2/h4-15H,1-3H3/b20-13+
InChIKey
SNZWKPASWSCROZ-DEDYPNTBSA-N
Compound name
methyl 2-methoxy-4-[(E)-[1-(2-methoxy-4-nitrophenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.13794 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.14522 216.5
[M+Na]+ 510.12716 221.6
[M-H]- 486.13066 227.5
[M+NH4]+ 505.17176 220.8
[M+K]+ 526.10110 213.3
[M+H-H2O]+ 470.13520 208.6
[M+HCOO]- 532.13614 236.5
[M+CH3COO]- 546.15179 232.6
[M+Na-2H]- 508.11261 216.2
[M]+ 487.13739 219.3
[M]- 487.13849 219.3
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.