CID 43398194

2-(4-methyl-1,4-diazepane-1-carbonyl)-1h-indole

Structural Information

Molecular Formula
C15H19N3O
SMILES
CN1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C15H19N3O/c1-17-7-4-8-18(10-9-17)15(19)14-11-12-5-2-3-6-13(12)16-14/h2-3,5-6,11,16H,4,7-10H2,1H3
InChIKey
JEAOOJVVTOKESY-UHFFFAOYSA-N
Compound name
1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.1528 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 159.2
[M+Na]+ 280.14202 165.2
[M-H]- 256.14552 162.6
[M+NH4]+ 275.18662 173.1
[M+K]+ 296.11596 163.9
[M+H-H2O]+ 240.15006 149.9
[M+HCOO]- 302.15100 174.6
[M+CH3COO]- 316.16665 169.1
[M+Na-2H]- 278.12747 161.5
[M]+ 257.15225 153.1
[M]- 257.15335 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.