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]+ 202.133876 144.7
[M+Na]+ 224.115818 153.7
[M-H]- 200.119324 149.5
[M+NH4]+ 219.160423 164.2
[M+K]+ 240.089758 151.0
[M+H-H2O]+ 184.123860 137.4
[M+HCOO]- 246.124801 168.8
[M+CH3COO]- 260.140451 196.4
[M+Na-2H]- 222.101266 151.5
[M]+ 201.12605142 145.0
[M]- 201.12714858 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.