CID 16066785

918907-60-5

Structural Information

Molecular Formula
C21H33N5O
SMILES
C1CNCCCN(CCCNCCNC1)CC2=C3C=CC=NC3=C(C=C2)O
InChI
InChI=1S/C21H33N5O/c27-20-7-6-18(19-5-1-12-25-21(19)20)17-26-15-3-10-22-8-2-9-23-13-14-24-11-4-16-26/h1,5-7,12,22-24,27H,2-4,8-11,13-17H2
InChIKey
QQAISVITWCCCIC-UHFFFAOYSA-N
Compound name
5-(1,4,8,12-tetrazacyclopentadec-8-ylmethyl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

371.26852 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.27580 191.2
[M+Na]+ 394.25774 191.1
[M-H]- 370.26124 183.3
[M+NH4]+ 389.30234 190.6
[M+K]+ 410.23168 183.5
[M+H-H2O]+ 354.26578 182.4
[M+HCOO]- 416.26672 191.9
[M+CH3COO]- 430.28237 192.5
[M+Na-2H]- 392.24319 190.6
[M]+ 371.26797 172.8
[M]- 371.26907 172.8
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.