CID 117027

71130-61-5

Structural Information

Molecular Formula
C18H16N4O5
SMILES
CONC=CC(=CC=NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=CC=C2
InChI
InChI=1S/C18H16N4O5/c1-27-20-12-10-15(14-5-3-2-4-6-14)9-11-19-17-8-7-16(21(23)24)13-18(17)22(25)26/h2-13,20H,1H3
InChIKey
NELWQOPYOZPVIZ-UHFFFAOYSA-N
Compound name
5-(2,4-dinitrophenyl)imino-N-methoxy-3-phenylpenta-1,3-dien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.11206 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.11934 185.8
[M+Na]+ 391.10128 187.6
[M-H]- 367.10478 192.5
[M+NH4]+ 386.14588 195.0
[M+K]+ 407.07522 175.8
[M+H-H2O]+ 351.10932 184.6
[M+HCOO]- 413.11026 212.6
[M+CH3COO]- 427.12591 209.5
[M+Na-2H]- 389.08673 192.6
[M]+ 368.11151 182.6
[M]- 368.11261 182.6
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.