CID 2724510

2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid

Structural Information

Molecular Formula
C25H21N3O3S
SMILES
CON=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)
InChIKey
PKPGSMOHYWOGJR-UHFFFAOYSA-N
Compound name
2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

476
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

No literature data available for this compound.

Patent stripe

patents stripe