CID 2783649

58464-25-8

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

109
Patents

224.14392 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.151196 152.7
[M+Na]+ 247.133138 164.5
[M-H]- 223.136644 158.3
[M+NH4]+ 242.177743 176.3
[M+K]+ 263.107078 154.0
[M+H-H2O]+ 207.141180 149.1
[M+HCOO]- 269.142121 173.8
[M+CH3COO]- 283.157771 187.6
[M+Na-2H]- 245.118586 161.0
[M]+ 224.14337142 154.5
[M]- 224.14446858 154.5
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