CID 217008

37989-09-6

Structural Information

Molecular Formula
C13H17N3
SMILES
CCN(CC)C1=CC2=CC=CC=C2C(=N1)N
InChI
InChI=1S/C13H17N3/c1-3-16(4-2)12-9-10-7-5-6-8-11(10)13(14)15-12/h5-9H,3-4H2,1-2H3,(H2,14,15)
InChIKey
NLFFGHBJVIMUEG-UHFFFAOYSA-N
Compound name
3-N,3-N-diethylisoquinoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 149.0
[M+Na]+ 238.13146 156.6
[M-H]- 214.13496 153.2
[M+NH4]+ 233.17606 167.6
[M+K]+ 254.10540 153.6
[M+H-H2O]+ 198.13950 141.3
[M+HCOO]- 260.14044 172.8
[M+CH3COO]- 274.15609 198.3
[M+Na-2H]- 236.11691 156.0
[M]+ 215.14169 149.3
[M]- 215.14279 149.3
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.