CID 13697965

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

Structural Information

Molecular Formula
C21H17ClN4
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NC4=CC=CC=C4N2)CN)Cl
InChI
InChI=1S/C21H17ClN4/c22-15-10-11-17-16(12-15)21(14-6-2-1-3-7-14)26-19-9-5-4-8-18(19)25-20(13-23)24-17/h1-12,26H,13,23H2
InChIKey
VYXFMIPMLFGKPE-UHFFFAOYSA-N
Compound name
(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.11417 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12145 196.9
[M+Na]+ 383.10339 199.6
[M+NH4]+ 378.14799 198.0
[M+K]+ 399.07733 196.6
[M-H]- 359.10689 197.7
[M+Na-2H]- 381.08884 196.7
[M]+ 360.11362 197.7
[M]- 360.11472 197.7
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.