CID 6481614

Schembl5858794

Structural Information

Molecular Formula
C20H24N6
SMILES
CC1=CC2=C(C=C1C)N(N=N2)CC3=NC4=CC=CC=C4N3CCN(C)C
InChI
InChI=1S/C20H24N6/c1-14-11-17-19(12-15(14)2)26(23-22-17)13-20-21-16-7-5-6-8-18(16)25(20)10-9-24(3)4/h5-8,11-12H,9-10,13H2,1-4H3
InChIKey
KTQAIHRGJRHDMM-UHFFFAOYSA-N
Compound name
2-[2-[(5,6-dimethylbenzotriazol-1-yl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

348.20624 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21352 187.4
[M+Na]+ 371.19546 199.5
[M-H]- 347.19896 192.7
[M+NH4]+ 366.24006 200.5
[M+K]+ 387.16940 193.1
[M+H-H2O]+ 331.20350 176.4
[M+HCOO]- 393.20444 208.2
[M+CH3COO]- 407.22009 198.4
[M+Na-2H]- 369.18091 189.9
[M]+ 348.20569 195.5
[M]- 348.20679 195.5
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.