CID 161370

Ns00047476

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CC1=CC2=C(C=C1[N+](=O)[O-])NC(CC2)CNC(C)C
InChI
InChI=1S/C14H21N3O2/c1-9(2)15-8-12-5-4-11-6-10(3)14(17(18)19)7-13(11)16-12/h6-7,9,12,15-16H,4-5,8H2,1-3H3
InChIKey
XRDXINBBVUAHGQ-UHFFFAOYSA-N
Compound name
N-[(6-methyl-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

263.1634 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.170676 159.7
[M+Na]+ 286.152618 164.0
[M-H]- 262.156124 160.9
[M+NH4]+ 281.197223 174.4
[M+K]+ 302.126558 156.3
[M+H-H2O]+ 246.160660 157.1
[M+HCOO]- 308.161601 177.9
[M+CH3COO]- 322.177251 194.9
[M+Na-2H]- 284.138066 164.6
[M]+ 263.16285142 154.6
[M]- 263.16394858 154.6
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.