CID 5928144

(z)-2-methoxymino-2-(2-(tritylamino)thiazol-4-yl)acetic acid

Structural Information

Molecular Formula
C25H21N3O3S
SMILES
CO/N=C(/C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)\C(=O)O
InChI
InChI=1S/C25H21N3O3S/c1-31-28-22(23(29)30)21-17-32-24(26-21)27-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,26,27)(H,29,30)/b28-22-
InChIKey
PKPGSMOHYWOGJR-SLMZUGIISA-N
Compound name
(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

443.13037 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.13765 203.9
[M+Na]+ 466.11959 207.6
[M-H]- 442.12309 214.9
[M+NH4]+ 461.16419 211.9
[M+K]+ 482.09353 202.0
[M+H-H2O]+ 426.12763 193.7
[M+HCOO]- 488.12857 221.2
[M+CH3COO]- 502.14422 229.8
[M+Na-2H]- 464.10504 206.3
[M]+ 443.12982 205.2
[M]- 443.13092 205.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe