CID 380035

Nsc665330

Structural Information

Molecular Formula
C18H27N3O
SMILES
CCN(CC)C(=O)CCNC(C)CC1=CNC2=CC=CC=C21
InChI
InChI=1S/C18H27N3O/c1-4-21(5-2)18(22)10-11-19-14(3)12-15-13-20-17-9-7-6-8-16(15)17/h6-9,13-14,19-20H,4-5,10-12H2,1-3H3
InChIKey
QXIZFJUBPMECID-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-[1-(1H-indol-3-yl)propan-2-ylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.21542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 176.3
[M+Na]+ 324.20464 180.6
[M-H]- 300.20814 178.9
[M+NH4]+ 319.24924 192.2
[M+K]+ 340.17858 177.1
[M+H-H2O]+ 284.21268 168.0
[M+HCOO]- 346.21362 198.0
[M+CH3COO]- 360.22927 212.1
[M+Na-2H]- 322.19009 177.9
[M]+ 301.21487 178.5
[M]- 301.21597 178.5
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.