CID 117786

Basic brown 16

Structural Information

Molecular Formula
C19H21N4O
SMILES
C[N+](C)(C)C1=CC2=C(C=C1)C=CC(=C2N=NC3=CC=C(C=C3)N)O
InChI
InChI=1S/C19H20N4O/c1-23(2,3)16-10-4-13-5-11-18(24)19(17(13)12-16)22-21-15-8-6-14(20)7-9-15/h4-12H,1-3H3,(H2-,20,21,22,24)/p+1
InChIKey
KZDKDLDVQWZTRZ-UHFFFAOYSA-O
Compound name
[8-[(4-aminophenyl)diazenyl]-7-hydroxynaphthalen-2-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5739
Patents

321.17154 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.17882 173.4
[M+Na]+ 344.16076 180.5
[M-H]- 320.16426 183.8
[M+NH4]+ 339.20536 188.8
[M+K]+ 360.13470 171.1
[M+H-H2O]+ 304.16880 167.1
[M+HCOO]- 366.16974 200.3
[M+CH3COO]- 380.18539 217.5
[M+Na-2H]- 342.14621 184.1
[M]+ 321.17099 173.0
[M]- 321.17209 173.0
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

patents stripe