CID 503780

Amd7059

Structural Information

Molecular Formula
C25H39N5
SMILES
C1CCCNCCNCCN(CCC1)CC2=CC=C(C=C2)CNCC3=CC=CC=N3
InChI
InChI=1S/C25H39N5/c1-2-5-13-26-15-16-27-17-19-30(18-7-3-1)22-24-11-9-23(10-12-24)20-28-21-25-8-4-6-14-29-25/h4,6,8-12,14,26-28H,1-3,5,7,13,15-22H2
InChIKey
ZRMZSERGGSEOQR-UHFFFAOYSA-N
Compound name
N-(pyridin-2-ylmethyl)-1-[4-(1,4,7-triazacyclotetradec-1-ylmethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

409.32056 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.32784 197.0
[M+Na]+ 432.30978 194.3
[M-H]- 408.31328 193.8
[M+NH4]+ 427.35438 195.7
[M+K]+ 448.28372 187.0
[M+H-H2O]+ 392.31782 186.6
[M+HCOO]- 454.31876 203.4
[M+CH3COO]- 468.33441 198.5
[M+Na-2H]- 430.29523 196.6
[M]+ 409.32001 180.2
[M]- 409.32111 180.2
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