CID 10116172

1-[2-(maleimido)ethyl]-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium triflate

Structural Information

Molecular Formula
C21H18N3O4
SMILES
COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CCN4C(=O)C=CC4=O
InChI
InChI=1S/C21H18N3O4/c1-27-17-4-2-15(3-5-17)18-14-22-21(28-18)16-8-10-23(11-9-16)12-13-24-19(25)6-7-20(24)26/h2-11,14H,12-13H2,1H3/q+1
InChIKey
ZFVZLRKHYFVTRB-UHFFFAOYSA-N
Compound name
1-[2-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]ethyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

376.12973 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13701 191.1
[M+Na]+ 399.11895 199.8
[M-H]- 375.12245 202.1
[M+NH4]+ 394.16355 200.3
[M+K]+ 415.09289 190.2
[M+H-H2O]+ 359.12699 183.0
[M+HCOO]- 421.12793 211.3
[M+CH3COO]- 435.14358 209.1
[M+Na-2H]- 397.10440 192.5
[M]+ 376.12918 194.1
[M]- 376.13028 194.1
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