CID 11133448

(2-triphenylmethylamino-4-thiazolyl)glyoxylic acid

Structural Information

Molecular Formula
C24H18N2O3S
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=CS4)C(=O)C(=O)O
InChI
InChI=1S/C24H18N2O3S/c27-21(22(28)29)20-16-30-23(25-20)26-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H,25,26)(H,28,29)
InChIKey
ALTFIMDUFNNVBD-UHFFFAOYSA-N
Compound name
2-oxo-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

414.10382 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.11110 197.1
[M+Na]+ 437.09304 201.7
[M-H]- 413.09654 207.1
[M+NH4]+ 432.13764 205.9
[M+K]+ 453.06698 195.5
[M+H-H2O]+ 397.10108 187.7
[M+HCOO]- 459.10202 212.3
[M+CH3COO]- 473.11767 205.4
[M+Na-2H]- 435.07849 198.6
[M]+ 414.10327 197.0
[M]- 414.10437 197.0
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