CID 483561

Amd3500

Structural Information

Molecular Formula
C24H38N6
SMILES
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=NC=C3
InChI
InChI=1S/C24H38N6/c1-9-25-14-15-26-11-2-17-30(18-16-27-10-1)21-24-5-3-22(4-6-24)19-29-20-23-7-12-28-13-8-23/h3-8,12-13,25-27,29H,1-2,9-11,14-21H2
InChIKey
RTHCDPLDSUOFCC-UHFFFAOYSA-N
Compound name
N-(pyridin-4-ylmethyl)-1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

410.3158 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.32308 196.4
[M+Na]+ 433.30502 193.9
[M-H]- 409.30852 190.9
[M+NH4]+ 428.34962 193.2
[M+K]+ 449.27896 185.7
[M+H-H2O]+ 393.31306 185.8
[M+HCOO]- 455.31400 200.5
[M+CH3COO]- 469.32965 197.1
[M+Na-2H]- 431.29047 196.5
[M]+ 410.31525 178.2
[M]- 410.31635 178.2
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.