CID 5486393

71130-61-5

Structural Information

Molecular Formula
C18H16N4O5
SMILES
CON/C=C/C(=C/C=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/b12-10+,15-9-,19-11?
InChIKey
NELWQOPYOZPVIZ-KXRANHQUSA-N
Compound name
(1E,3Z)-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]+ 369.119336 185.8
[M+Na]+ 391.101278 187.6
[M-H]- 367.104784 192.5
[M+NH4]+ 386.145883 195.0
[M+K]+ 407.075218 175.8
[M+H-H2O]+ 351.109320 184.6
[M+HCOO]- 413.110261 212.6
[M+CH3COO]- 427.125911 209.5
[M+Na-2H]- 389.086726 192.6
[M]+ 368.11151142 182.6
[M]- 368.11260858 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.