CID 9570626

Schembl4487814

Structural Information

Molecular Formula
C20H24N3O
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=N/N(C)C3=CC=C(C=C3)OC)C)C
InChI
InChI=1S/C20H24N3O/c1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15/h6-14H,1-5H3/q+1
InChIKey
VRAOBFWNUBUCRN-UHFFFAOYSA-N
Compound name
4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

778
Patents

322.19193 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19921 179.1
[M+Na]+ 345.18115 187.8
[M-H]- 321.18465 189.0
[M+NH4]+ 340.22575 197.7
[M+K]+ 361.15509 178.7
[M+H-H2O]+ 305.18919 172.8
[M+HCOO]- 367.19013 204.7
[M+CH3COO]- 381.20578 213.5
[M+Na-2H]- 343.16660 185.7
[M]+ 322.19138 183.1
[M]- 322.19248 183.1
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