CID 117613

25717-55-9

Structural Information

Molecular Formula
C20H23N2O
SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CNC3=CC=C(C=C3)OC)C)C
InChI
InChI=1S/C20H22N2O/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15/h5-14H,1-4H3/p+1
InChIKey
XPPDUTAHXVXVJY-UHFFFAOYSA-O
Compound name
4-methoxy-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

307.18103 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18831 173.0
[M+Na]+ 330.17025 189.5
[M+NH4]+ 325.21485 184.2
[M+K]+ 346.14419 180.8
[M-H]- 306.17375 179.8
[M+Na-2H]- 328.15570 183.1
[M]+ 307.18048 178.0
[M]- 307.18158 178.0
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