CID 3044774

1,3-propanediamine, n-(5-chloro-3-(4-methylphenyl)-1h-indol-1-yl)-n,n',n'-trimethyl-, monohydrochloride

Structural Information

Molecular Formula
C21H26ClN3
SMILES
CC1=CC=C(C=C1)C2=CN(C3=C2C=C(C=C3)Cl)N(C)CCCN(C)C
InChI
InChI=1S/C21H26ClN3/c1-16-6-8-17(9-7-16)20-15-25(24(4)13-5-12-23(2)3)21-11-10-18(22)14-19(20)21/h6-11,14-15H,5,12-13H2,1-4H3
InChIKey
BUQGDLJXQQLQSN-UHFFFAOYSA-N
Compound name
N'-[5-chloro-3-(4-methylphenyl)indol-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

355.18152 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18880 187.2
[M+Na]+ 378.17074 202.5
[M+NH4]+ 373.21534 196.5
[M+K]+ 394.14468 194.4
[M-H]- 354.17424 194.0
[M+Na-2H]- 376.15619 195.9
[M]+ 355.18097 191.8
[M]- 355.18207 191.8
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