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

literature stripe

Patent stripe

patents stripe