CID 45051488

853407-14-4

Structural Information

Molecular Formula
C20H16N4O4
SMILES
CN1C2=C(C=C(C=C2)N=CC3=CC=C(O3)[N+](=O)[O-])N=C1C4=CC=C(C=C4)OC
InChI
InChI=1S/C20H16N4O4/c1-23-18-9-5-14(21-12-16-8-10-19(28-16)24(25)26)11-17(18)22-20(23)13-3-6-15(27-2)7-4-13/h3-12H,1-2H3
InChIKey
KLEVRXVFXSMSMC-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxyphenyl)-1-methylbenzimidazol-5-yl]-1-(5-nitrofuran-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.11716 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.12444 187.8
[M+Na]+ 399.10638 196.4
[M-H]- 375.10988 199.7
[M+NH4]+ 394.15098 199.6
[M+K]+ 415.08032 188.9
[M+H-H2O]+ 359.11442 182.4
[M+HCOO]- 421.11536 214.1
[M+CH3COO]- 435.13101 216.2
[M+Na-2H]- 397.09183 193.5
[M]+ 376.11661 192.9
[M]- 376.11771 192.9
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.