CID 7156961

Brilliantcresylblue

Structural Information

Molecular Formula
C17H21N4O
SMILES
CC[N+](=C1C=CC2=NC3=C(C=C(C(=C3OC2=C1)C)N)N)CC
InChI
InChI=1S/C17H20N4O/c1-4-21(5-2)11-6-7-14-15(8-11)22-17-10(3)12(18)9-13(19)16(17)20-14/h6-9H,4-5H2,1-3H3,(H3,18,19)/p+1
InChIKey
AORLNDYYKJDWQR-UHFFFAOYSA-O
Compound name
(7,9-diamino-6-methylphenoxazin-3-ylidene)-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.17154 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.17882 168.6
[M+Na]+ 320.16076 184.3
[M+NH4]+ 315.20536 177.8
[M+K]+ 336.13470 177.8
[M-H]- 296.16426 176.6
[M+Na-2H]- 318.14621 174.8
[M]+ 297.17099 173.4
[M]- 297.17209 173.4
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