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
5
Annotation Hits

11
References

6499
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 190.5
[M+Na]+ 438.06619 200.4
[M-H]- 414.06969 200.9
[M+NH4]+ 433.11079 204.9
[M+K]+ 454.04013 182.2
[M+H-H2O]+ 398.07423 189.0
[M+HCOO]- 460.07517 210.7
[M+CH3COO]- 474.09082 227.3
[M+Na-2H]- 436.05164 196.7
[M]+ 415.07642 205.9
[M]- 415.07752 205.9
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