CID 392793

Nsc693714

Structural Information

Molecular Formula
C22H24N2
SMILES
CCCC1=C(C2=CC=CC=C2N1)C3=C(NC4=CC=CC=C43)CCC
InChI
InChI=1S/C22H24N2/c1-3-9-19-21(15-11-5-7-13-17(15)23-19)22-16-12-6-8-14-18(16)24-20(22)10-4-2/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3
InChIKey
DQPQLUBLJYSDMS-UHFFFAOYSA-N
Compound name
2-propyl-3-(2-propyl-1H-indol-3-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.19394 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.201216 178.5
[M+Na]+ 339.183158 189.0
[M-H]- 315.186664 183.0
[M+NH4]+ 334.227763 195.3
[M+K]+ 355.157098 180.0
[M+H-H2O]+ 299.191200 170.6
[M+HCOO]- 361.192141 198.5
[M+CH3COO]- 375.207791 189.5
[M+Na-2H]- 337.168606 180.3
[M]+ 316.19339142 181.4
[M]- 316.19448858 181.4
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

No patent data available for this compound.