CID 3065255

2-chloro-6-(4-morpholinylmethyl)-13-phenyl-5h-dibenzo(d,h)(1,3,6)triazonine

Structural Information

Molecular Formula
C25H23ClN4O
SMILES
C1COCCN1CC2=NC3=CC=CC=C3NC(=C4C=C(C=CC4=N2)Cl)C5=CC=CC=C5
InChI
InChI=1S/C25H23ClN4O/c26-19-10-11-21-20(16-19)25(18-6-2-1-3-7-18)29-23-9-5-4-8-22(23)28-24(27-21)17-30-12-14-31-15-13-30/h1-11,16,29H,12-15,17H2
InChIKey
JCMHNTAYZRNHLE-UHFFFAOYSA-N
Compound name
4-[(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.15604 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.16332 213.7
[M+Na]+ 453.14526 207.9
[M-H]- 429.14876 210.5
[M+NH4]+ 448.18986 210.6
[M+K]+ 469.11920 209.0
[M+H-H2O]+ 413.15330 202.1
[M+HCOO]- 475.15424 210.9
[M+CH3COO]- 489.16989 211.2
[M+Na-2H]- 451.13071 211.3
[M]+ 430.15549 210.6
[M]- 430.15659 210.6
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.