CID 6481617

Schembl5858817

Structural Information

Molecular Formula
C23H29N5
SMILES
CC(CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3)CC(C)(C)C
InChI
InChI=1S/C23H29N5/c1-17(15-23(2,3)4)13-14-27-20-11-7-5-9-18(20)24-22(27)16-28-21-12-8-6-10-19(21)25-26-28/h5-12,17H,13-16H2,1-4H3
InChIKey
NCEKZVXSALZYCA-UHFFFAOYSA-N
Compound name
1-[[1-(3,5,5-trimethylhexyl)benzimidazol-2-yl]methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

375.2423 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.24958 198.8
[M+Na]+ 398.23152 208.6
[M-H]- 374.23502 201.9
[M+NH4]+ 393.27612 210.0
[M+K]+ 414.20546 201.5
[M+H-H2O]+ 358.23956 188.0
[M+HCOO]- 420.24050 214.4
[M+CH3COO]- 434.25615 207.8
[M+Na-2H]- 396.21697 200.7
[M]+ 375.24175 205.1
[M]- 375.24285 205.1
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

patents stripe