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

7
References

3519
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.