CID 326802

Nsc298878

Structural Information

Molecular Formula
C12H15N3
SMILES
CC1=CC(=NC2=C1C=CC(=C2)N)N(C)C
InChI
InChI=1S/C12H15N3/c1-8-6-12(15(2)3)14-11-7-9(13)4-5-10(8)11/h4-7H,13H2,1-3H3
InChIKey
LAFRRPGYWLOFST-UHFFFAOYSA-N
Compound name
2-N,2-N,4-trimethylquinoline-2,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

201.1266 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 144.7
[M+Na]+ 224.11582 153.7
[M-H]- 200.11932 149.5
[M+NH4]+ 219.16042 164.2
[M+K]+ 240.08976 151.0
[M+H-H2O]+ 184.12386 137.4
[M+HCOO]- 246.12480 168.8
[M+CH3COO]- 260.14045 196.4
[M+Na-2H]- 222.10127 151.5
[M]+ 201.12605 145.0
[M]- 201.12715 145.0
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

No patent data available for this compound.