CID 16076259

627519-81-7

Structural Information

Molecular Formula
C18H27N3
SMILES
CCCCCC(C)NCCNC1=CC=CC2=C1C=CC=N2
InChI
InChI=1S/C18H27N3/c1-3-4-5-8-15(2)19-13-14-21-18-11-6-10-17-16(18)9-7-12-20-17/h6-7,9-12,15,19,21H,3-5,8,13-14H2,1-2H3
InChIKey
XTZUHAPBILMINM-UHFFFAOYSA-N
Compound name
N'-heptan-2-yl-N-quinolin-5-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.2205 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.22778 170.8
[M+Na]+ 308.20972 174.6
[M-H]- 284.21322 172.6
[M+NH4]+ 303.25432 185.6
[M+K]+ 324.18366 169.9
[M+H-H2O]+ 268.21776 161.9
[M+HCOO]- 330.21870 192.0
[M+CH3COO]- 344.23435 210.2
[M+Na-2H]- 306.19517 176.5
[M]+ 285.21995 171.5
[M]- 285.22105 171.5
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.