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 208.6
[M+Na]+ 383.10339 204.0
[M-H]- 359.10689 205.9
[M+NH4]+ 378.14799 206.0
[M+K]+ 399.07733 204.5
[M+H-H2O]+ 343.11143 197.5
[M+HCOO]- 405.11237 206.5
[M+CH3COO]- 419.12802 206.8
[M+Na-2H]- 381.08884 207.2
[M]+ 360.11362 206.1
[M]- 360.11472 206.1
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.