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]+ 304.201946 174.2
[M+Na]+ 326.183888 179.3
[M-H]- 302.187394 177.0
[M+NH4]+ 321.228493 189.7
[M+K]+ 342.157828 171.4
[M+H-H2O]+ 286.191930 170.6
[M+HCOO]- 348.192871 197.8
[M+CH3COO]- 362.208521 204.4
[M+Na-2H]- 324.169336 179.0
[M]+ 303.19412142 176.3
[M]- 303.19521858 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.