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 174.2
[M+Na]+ 326.18389 179.3
[M-H]- 302.18739 177.0
[M+NH4]+ 321.22849 189.7
[M+K]+ 342.15783 171.4
[M+H-H2O]+ 286.19193 170.6
[M+HCOO]- 348.19287 197.8
[M+CH3COO]- 362.20852 204.4
[M+Na-2H]- 324.16934 179.0
[M]+ 303.19412 176.3
[M]- 303.19522 176.3
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.