CID 214353

138349-49-2

Structural Information

Molecular Formula
C22H27N3O
SMILES
CC1=C(N(C2=CC=CC=C12)C3=CC=CC=C3)NC(=O)CCCCCCN
InChI
InChI=1S/C22H27N3O/c1-17-19-13-8-9-14-20(19)25(18-11-5-4-6-12-18)22(17)24-21(26)15-7-2-3-10-16-23/h4-6,8-9,11-14H,2-3,7,10,15-16,23H2,1H3,(H,24,26)
InChIKey
LWMHODGTJBOHPB-UHFFFAOYSA-N
Compound name
7-amino-N-(3-methyl-1-phenylindol-2-yl)heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.21542 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 186.9
[M+Na]+ 372.20464 193.1
[M-H]- 348.20814 192.6
[M+NH4]+ 367.24924 200.8
[M+K]+ 388.17858 186.7
[M+H-H2O]+ 332.21268 177.5
[M+HCOO]- 394.21362 210.0
[M+CH3COO]- 408.22927 220.0
[M+Na-2H]- 370.19009 188.8
[M]+ 349.21487 189.0
[M]- 349.21597 189.0
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.