CID 94632

Basic yellow 13

Structural Information

Molecular Formula
C19H22N5O
SMILES
CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)[N+](C)(C)C)C3=CC=CC=C3
InChI
InChI=1S/C19H22N5O/c1-14-18(19(25)23(22-14)16-10-6-5-7-11-16)21-20-15-9-8-12-17(13-15)24(2,3)4/h5-13,18H,1-4H3/q+1
InChIKey
FNIKRFDDVJOGMK-UHFFFAOYSA-N
Compound name
trimethyl-[3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2888
Patents

336.18243 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.18971 179.6
[M+Na]+ 359.17165 187.0
[M-H]- 335.17515 191.5
[M+NH4]+ 354.21625 193.4
[M+K]+ 375.14559 177.8
[M+H-H2O]+ 319.17969 171.3
[M+HCOO]- 381.18063 206.2
[M+CH3COO]- 395.19628 218.4
[M+Na-2H]- 357.15710 187.5
[M]+ 336.18188 180.8
[M]- 336.18298 180.8
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