CID 11203363

510758-28-8

Structural Information

Molecular Formula
C30H30N10
SMILES
C1=CC=C(C=C1)CN2C=C(N=N2)CN(CC3=CN(N=N3)CC4=CC=CC=C4)CC5=CN(N=N5)CC6=CC=CC=C6
InChI
InChI=1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2
InChIKey
WKGZJBVXZWCZQC-UHFFFAOYSA-N
Compound name
1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3868
Patents

530.2655 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.27278 212.5
[M+Na]+ 553.25472 218.3
[M-H]- 529.25822 222.6
[M+NH4]+ 548.29932 210.1
[M+K]+ 569.22866 209.0
[M+H-H2O]+ 513.26276 196.0
[M+HCOO]- 575.26370 228.2
[M+CH3COO]- 589.27935 218.0
[M+Na-2H]- 551.24017 211.0
[M]+ 530.26495 215.6
[M]- 530.26605 215.6
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