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 189.5
[M+Na]+ 378.17074 198.2
[M-H]- 354.17424 198.6
[M+NH4]+ 373.21534 206.0
[M+K]+ 394.14468 192.7
[M+H-H2O]+ 338.17878 180.4
[M+HCOO]- 400.17972 210.4
[M+CH3COO]- 414.19537 227.3
[M+Na-2H]- 376.15619 190.9
[M]+ 355.18097 197.4
[M]- 355.18207 197.4
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