CID 38476

Basic yellow 5

Structural Information

Molecular Formula
C16H18N3
SMILES
CC1=CC2=CC3=C(C=C(C(=C3)C)N)[N+](=C2C=C1N)C
InChI
InChI=1S/C16H17N3/c1-9-4-11-6-12-5-10(2)14(18)8-16(12)19(3)15(11)7-13(9)17/h4-8H,1-3H3,(H3,17,18)/p+1
InChIKey
GXAYNFZRVSVARV-UHFFFAOYSA-O
Compound name
2,7,10-trimethylacridin-10-ium-3,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1420
Patents

252.15007 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15735 159.7
[M+Na]+ 275.13929 171.5
[M-H]- 251.14279 164.8
[M+NH4]+ 270.18389 177.6
[M+K]+ 291.11323 160.0
[M+H-H2O]+ 235.14733 155.1
[M+HCOO]- 297.14827 182.0
[M+CH3COO]- 311.16392 198.8
[M+Na-2H]- 273.12474 168.2
[M]+ 252.14952 159.5
[M]- 252.15062 159.5
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