CID 11106

Neutral red

Structural Information

Molecular Formula
C15H16N4
SMILES
CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N
InChI
InChI=1S/C15H16N4/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13/h4-8H,16H2,1-3H3
InChIKey
GLVRJEJEXGVOMJ-UHFFFAOYSA-N
Compound name
8-N,8-N,3-trimethylphenazine-2,8-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1295
References

43577
Patents

252.1375 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14478 158.4
[M+Na]+ 275.12672 169.3
[M-H]- 251.13022 163.1
[M+NH4]+ 270.17132 175.5
[M+K]+ 291.10066 164.6
[M+H-H2O]+ 235.13476 149.6
[M+HCOO]- 297.13570 181.2
[M+CH3COO]- 311.15135 171.1
[M+Na-2H]- 273.11217 167.1
[M]+ 252.13695 160.8
[M]- 252.13805 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe