CID 13697967

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

Structural Information

Molecular Formula
C23H21ClN4
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NC4=CC=CC=C4N2)CCCN)Cl
InChI
InChI=1S/C23H21ClN4/c24-17-12-13-19-18(15-17)23(16-7-2-1-3-8-16)28-21-10-5-4-9-20(21)27-22(26-19)11-6-14-25/h1-5,7-10,12-13,15,28H,6,11,14,25H2
InChIKey
GLXSKUKAOPWYRW-UHFFFAOYSA-N
Compound name
3-(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.14548 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15276 209.4
[M+Na]+ 411.13470 204.6
[M-H]- 387.13820 206.6
[M+NH4]+ 406.17930 206.7
[M+K]+ 427.10864 205.2
[M+H-H2O]+ 371.14274 198.1
[M+HCOO]- 433.14368 207.1
[M+CH3COO]- 447.15933 207.5
[M+Na-2H]- 409.12015 207.8
[M]+ 388.14493 206.8
[M]- 388.14603 206.8
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.