CID 11298872

N4-(2-methylpropyl)quinoline-3,4-diamine

Structural Information

Molecular Formula
C13H17N3
SMILES
CC(C)CNC1=C(C=NC2=CC=CC=C21)N
InChI
InChI=1S/C13H17N3/c1-9(2)7-16-13-10-5-3-4-6-12(10)15-8-11(13)14/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)
InChIKey
JFMKIQOIIMSWIM-UHFFFAOYSA-N
Compound name
4-N-(2-methylpropyl)quinoline-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

215.14224 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 149.2
[M+Na]+ 238.131458 156.3
[M-H]- 214.134964 151.9
[M+NH4]+ 233.176063 167.0
[M+K]+ 254.105398 152.5
[M+H-H2O]+ 198.139500 141.7
[M+HCOO]- 260.140441 171.5
[M+CH3COO]- 274.156091 195.7
[M+Na-2H]- 236.116906 155.7
[M]+ 215.14169142 147.6
[M]- 215.14278858 147.6
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