CID 175532

92952-73-3

Structural Information

Molecular Formula
C22H22ClN2O
SMILES
CCN(CCO)C1=CC=C(C=C1)C2=[N+](C3=C4C2=CC=CC4=C(C=C3)Cl)C
InChI
InChI=1S/C22H22ClN2O/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2/h4-12,26H,3,13-14H2,1-2H3/q+1
InChIKey
IWGATKJNTVVXJP-UHFFFAOYSA-N
Compound name
2-[4-(6-chloro-1-methylbenzo[cd]indol-1-ium-2-yl)-N-ethylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

365.14206 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14934 192.3
[M+Na]+ 388.13128 201.2
[M-H]- 364.13478 199.1
[M+NH4]+ 383.17588 208.0
[M+K]+ 404.10522 188.6
[M+H-H2O]+ 348.13932 186.5
[M+HCOO]- 410.14026 207.8
[M+CH3COO]- 424.15591 215.2
[M+Na-2H]- 386.11673 196.8
[M]+ 365.14151 197.7
[M]- 365.14261 197.7
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