CID 483569

Amd3543

Structural Information

Molecular Formula
C23H39N7
SMILES
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCCC3=CN=CN3
InChI
InChI=1S/C23H39N7/c1-8-24-12-13-25-10-2-15-30(16-14-26-9-1)19-22-5-3-21(4-6-22)17-27-11-7-23-18-28-20-29-23/h3-6,18,20,24-27H,1-2,7-17,19H2,(H,28,29)
InChIKey
YOMWIGRZWWQLIH-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-5-yl)-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

413.3267 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.33398 193.3
[M+Na]+ 436.31592 190.7
[M-H]- 412.31942 186.4
[M+NH4]+ 431.36052 190.2
[M+K]+ 452.28986 182.8
[M+H-H2O]+ 396.32396 182.9
[M+HCOO]- 458.32490 196.2
[M+CH3COO]- 472.34055 193.7
[M+Na-2H]- 434.30137 190.8
[M]+ 413.32615 174.9
[M]- 413.32725 174.9
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

patents stripe