CID 18884

3414-67-3

Structural Information

Molecular Formula
C17H25N3O2
SMILES
CCCCN(CCCC)CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H25N3O2/c1-3-5-9-19(10-6-4-2)13-14-12-18-17-8-7-15(20(21)22)11-16(14)17/h7-8,11-12,18H,3-6,9-10,13H2,1-2H3
InChIKey
SXZLXOISSHULKG-UHFFFAOYSA-N
Compound name
N-butyl-N-[(5-nitro-1H-indol-3-yl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.19467 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20195 172.1
[M+Na]+ 326.18389 183.5
[M+NH4]+ 321.22849 179.2
[M+K]+ 342.15783 180.5
[M-H]- 302.18739 175.3
[M+Na-2H]- 324.16934 176.4
[M]+ 303.19412 174.3
[M]- 303.19522 174.3
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.