CID 6447594

78311-89-4

Structural Information

Molecular Formula
C20H18N4O5
SMILES
CC1=N/C(=C/C2=CC=C(C=C2)NC(=O)C)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C20H18N4O5/c1-12-21-17(10-14-4-6-15(7-5-14)22-13(2)25)20(26)23(12)18-9-8-16(24(27)28)11-19(18)29-3/h4-11H,1-3H3,(H,22,25)/b17-10+
InChIKey
NZMKGPPIMCRFKX-LICLKQGHSA-N
Compound name
N-[4-[(E)-[1-(2-methoxy-4-nitrophenyl)-2-methyl-5-oxoimidazol-4-ylidene]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.12772 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13500 192.1
[M+Na]+ 417.11694 198.3
[M-H]- 393.12044 200.3
[M+NH4]+ 412.16154 200.9
[M+K]+ 433.09088 189.7
[M+H-H2O]+ 377.12498 186.3
[M+HCOO]- 439.12592 214.2
[M+CH3COO]- 453.14157 218.0
[M+Na-2H]- 415.10239 193.7
[M]+ 394.12717 192.2
[M]- 394.12827 192.2
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.