CID 82378

Brilliant cresyl blue bb

Structural Information

Molecular Formula
C17H21N4O
SMILES
CC[N+](=C1C=C2C(=NC3=C(C=C(C=C3O2)N)N)C=C1C)CC
InChI
InChI=1S/C17H20N4O/c1-4-21(5-2)14-9-15-13(6-10(14)3)20-17-12(19)7-11(18)8-16(17)22-15/h6-9H,4-5H2,1-3H3,(H3,18,19)/p+1
InChIKey
ORZRYMJOEMUGHY-UHFFFAOYSA-O
Compound name
(7,9-diamino-2-methylphenoxazin-3-ylidene)-diethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

12
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 172.3
[M+Na]+ 320.16076 181.2
[M-H]- 296.16426 178.3
[M+NH4]+ 315.20536 186.8
[M+K]+ 336.13470 172.0
[M+H-H2O]+ 280.16880 166.2
[M+HCOO]- 342.16974 193.6
[M+CH3COO]- 356.18539 210.0
[M+Na-2H]- 318.14621 180.4
[M]+ 297.17099 172.2
[M]- 297.17209 172.2
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