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

literature stripe

Patent stripe

patents stripe