CID 93378

Basic blue 99

Structural Information

Molecular Formula
C19H20BrN4O2
SMILES
C[N+](C)(C)C1=CC=CC(=C1)N=C2C=C(C3=C(C2=O)C(=CC(=C3O)Br)N)N
InChI
InChI=1S/C19H19BrN4O2/c1-24(2,3)11-6-4-5-10(7-11)23-15-9-14(22)16-17(19(15)26)13(21)8-12(20)18(16)25/h4-9H,1-3H3,(H4-,21,22,23,25,26)/p+1
InChIKey
KYLAXXINCKZIBT-UHFFFAOYSA-O
Compound name
[3-[(4,8-diamino-6-bromo-5-hydroxy-1-oxonaphthalen-2-ylidene)amino]phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

6490
Patents

415.07697 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.08425 189.0
[M+Na]+ 438.06619 193.3
[M+NH4]+ 433.11079 193.4
[M+K]+ 454.04013 193.2
[M-H]- 414.06969 194.6
[M+Na-2H]- 436.05164 192.6
[M]+ 415.07642 190.3
[M]- 415.07752 190.3
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