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 191.4
[M+Na]+ 417.11694 204.1
[M+NH4]+ 412.16154 195.6
[M+K]+ 433.09088 203.1
[M-H]- 393.12044 196.0
[M+Na-2H]- 415.10239 197.1
[M]+ 394.12717 194.0
[M]- 394.12827 194.0
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.