CID 2783649

372081-65-7

Structural Information

Molecular Formula
C16H18N
SMILES
CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)C
InChI
InChI=1S/C16H18N/c1-11-16(2,3)15-13-8-6-5-7-12(13)9-10-14(15)17(11)4/h5-10H,1-4H3/q+1
InChIKey
FZBNRFHFAZCQNK-UHFFFAOYSA-N
Compound name
1,1,2,3-tetramethylbenzo[e]indol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

85
Patents

224.14392 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15120 149.0
[M+Na]+ 247.13314 167.1
[M+NH4]+ 242.17774 162.4
[M+K]+ 263.10708 158.5
[M-H]- 223.13664 154.9
[M+Na-2H]- 245.11859 158.3
[M]+ 224.14337 154.1
[M]- 224.14447 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe