CID 3065259

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

Structural Information

Molecular Formula
C23H21ClN4
SMILES
CN(C)CC1=NC2=CC=CC=C2NC(=C3C=C(C=CC3=N1)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H21ClN4/c1-28(2)15-22-25-19-13-12-17(24)14-18(19)23(16-8-4-3-5-9-16)27-21-11-7-6-10-20(21)26-22/h3-14,27H,15H2,1-2H3
InChIKey
PMJZHYOYYBTJPV-UHFFFAOYSA-N
Compound name
1-(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.14548 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15276 198.9
[M+Na]+ 411.13470 201.6
[M+NH4]+ 406.17930 200.0
[M+K]+ 427.10864 198.5
[M-H]- 387.13820 199.8
[M+Na-2H]- 409.12015 198.7
[M]+ 388.14493 199.7
[M]- 388.14603 199.7
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.