CID 21943

19146-62-4

Structural Information

Molecular Formula
C30H38N4
SMILES
CC1=NC2=CC=CC=C2C(=C1)NCCCCCCCCCCNC3=CC(=NC4=CC=CC=C43)C
InChI
InChI=1S/C30H38N4/c1-23-21-29(25-15-9-11-17-27(25)33-23)31-19-13-7-5-3-4-6-8-14-20-32-30-22-24(2)34-28-18-12-10-16-26(28)30/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3,(H,31,33)(H,32,34)
InChIKey
GZIJBIYIMDKOSA-UHFFFAOYSA-N
Compound name
N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

73
Patents

454.30966 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.31694 217.7
[M+Na]+ 477.29888 222.5
[M-H]- 453.30238 221.7
[M+NH4]+ 472.34348 225.0
[M+K]+ 493.27282 212.9
[M+H-H2O]+ 437.30692 204.6
[M+HCOO]- 499.30786 236.2
[M+CH3COO]- 513.32351 223.9
[M+Na-2H]- 475.28433 222.6
[M]+ 454.30911 221.6
[M]- 454.31021 221.6
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