CID 161370

22982-78-1

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
2
Annotation Hits

10
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

literature stripe

Patent stripe

patents stripe