CID 42526

1-(bis(2-(dimethylamino)ethyl)amino)-5-methyl-3-phenylindole dihydrochloride

Structural Information

Molecular Formula
C23H32N4
SMILES
CC1=CC2=C(C=C1)N(C=C2C3=CC=CC=C3)N(CCN(C)C)CCN(C)C
InChI
InChI=1S/C23H32N4/c1-19-11-12-23-21(17-19)22(20-9-7-6-8-10-20)18-27(23)26(15-13-24(2)3)16-14-25(4)5/h6-12,17-18H,13-16H2,1-5H3
InChIKey
FJAGNQPAYBZUBI-UHFFFAOYSA-N
Compound name
N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(5-methyl-3-phenylindol-1-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.2627 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.26998 194.1
[M+Na]+ 387.25192 199.3
[M-H]- 363.25542 204.1
[M+NH4]+ 382.29652 209.1
[M+K]+ 403.22586 196.5
[M+H-H2O]+ 347.25996 183.3
[M+HCOO]- 409.26090 220.4
[M+CH3COO]- 423.27655 236.8
[M+Na-2H]- 385.23737 195.7
[M]+ 364.26215 200.5
[M]- 364.26325 200.5
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