CID 24844160

Brn 4593903

Structural Information

Molecular Formula
C23H25N5O2
SMILES
C1CN2CC3=C(CC2CN1CCN=CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5N3
InChI
InChI=1S/C23H25N5O2/c29-28(30)18-7-5-17(6-8-18)14-24-9-10-26-11-12-27-16-23-21(13-19(27)15-26)20-3-1-2-4-22(20)25-23/h1-8,14,19,25H,9-13,15-16H2
InChIKey
OLIBTBRNYJJDFQ-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-N-[2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.20084 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.20812 194.5
[M+Na]+ 426.19006 208.4
[M+NH4]+ 421.23466 202.3
[M+K]+ 442.16400 203.6
[M-H]- 402.19356 200.4
[M+Na-2H]- 424.17551 199.5
[M]+ 403.20029 197.9
[M]- 403.20139 197.9
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.