CID 503990

Chembl281092

Structural Information

Molecular Formula
C13H17N3
SMILES
CC1=CC(=C2C=CC(=CC2=N1)N(C)C)NC
InChI
InChI=1S/C13H17N3/c1-9-7-12(14-2)11-6-5-10(16(3)4)8-13(11)15-9/h5-8H,1-4H3,(H,14,15)
InChIKey
UMMZCEBWQPFRIK-UHFFFAOYSA-N
Compound name
4-N,7-N,7-N,2-tetramethylquinoline-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.14224 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 148.8
[M+Na]+ 238.13146 157.2
[M-H]- 214.13496 153.9
[M+NH4]+ 233.17606 167.9
[M+K]+ 254.10540 154.7
[M+H-H2O]+ 198.13950 141.2
[M+HCOO]- 260.14044 173.2
[M+CH3COO]- 274.15609 200.1
[M+Na-2H]- 236.11691 156.1
[M]+ 215.14169 150.4
[M]- 215.14279 150.4
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.