CID 384623

Nsc674636

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CCCC(=O)NC1=CC2=C(C=C1)N(C=C2)COC
InChI
InChI=1S/C14H18N2O2/c1-3-4-14(17)15-12-5-6-13-11(9-12)7-8-16(13)10-18-2/h5-9H,3-4,10H2,1-2H3,(H,15,17)
InChIKey
JVGHEYHBRGJYSL-UHFFFAOYSA-N
Compound name
N-[1-(methoxymethyl)indol-5-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 156.1
[M+Na]+ 269.12605 164.6
[M-H]- 245.12955 159.7
[M+NH4]+ 264.17065 175.2
[M+K]+ 285.09999 161.5
[M+H-H2O]+ 229.13409 148.9
[M+HCOO]- 291.13503 180.5
[M+CH3COO]- 305.15068 196.6
[M+Na-2H]- 267.11150 161.1
[M]+ 246.13628 160.8
[M]- 246.13738 160.8
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.