CID 6913121

Yo-pro-1

Structural Information

Molecular Formula
C24H29N3O
SMILES
CN\1C2=CC=CC=C2O/C1=C\C3=CC=[N+](C4=CC=CC=C34)CCC[N+](C)(C)C
InChI
InChI=1S/C24H29N3O/c1-25-22-12-7-8-13-23(22)28-24(25)18-19-14-16-26(15-9-17-27(2,3)4)21-11-6-5-10-20(19)21/h5-8,10-14,16,18H,9,15,17H2,1-4H3/q+2
InChIKey
DWBLAOWJYNNBQB-UHFFFAOYSA-N
Compound name
trimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzoxazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

126
References

6
Patents

375.23105 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.23833 190.3
[M+Na]+ 398.22027 209.1
[M+NH4]+ 393.26487 200.9
[M+K]+ 414.19421 202.8
[M-H]- 374.22377 200.1
[M+Na-2H]- 396.20572 198.8
[M]+ 375.23050 196.8
[M]- 375.23160 196.8
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