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]+ 216.149516 149.0
[M+Na]+ 238.131458 156.6
[M-H]- 214.134964 153.2
[M+NH4]+ 233.176063 167.6
[M+K]+ 254.105398 153.6
[M+H-H2O]+ 198.139500 141.3
[M+HCOO]- 260.140441 172.8
[M+CH3COO]- 274.156091 198.3
[M+Na-2H]- 236.116906 156.0
[M]+ 215.14169142 149.3
[M]- 215.14278858 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.