CID 6481626

4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-n-methyl-butan-2-amine

Structural Information

Molecular Formula
C19H22N6
SMILES
CC(CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3)NC
InChI
InChI=1S/C19H22N6/c1-14(20-2)11-12-24-17-9-5-3-7-15(17)21-19(24)13-25-18-10-6-4-8-16(18)22-23-25/h3-10,14,20H,11-13H2,1-2H3
InChIKey
OWRNUARRHROQCE-UHFFFAOYSA-N
Compound name
4-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.19058 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19786 180.0
[M+Na]+ 357.17980 190.3
[M-H]- 333.18330 183.4
[M+NH4]+ 352.22440 192.4
[M+K]+ 373.15374 183.5
[M+H-H2O]+ 317.18784 169.0
[M+HCOO]- 379.18878 199.8
[M+CH3COO]- 393.20443 190.3
[M+Na-2H]- 355.16525 184.4
[M]+ 334.19003 185.2
[M]- 334.19113 185.2
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.