CID 88228

Bis(p-dimethylaminophenyl)benzotriazole methane

Structural Information

Molecular Formula
C23H25N5
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3C4=CC=CC=C4N=N3
InChI
InChI=1S/C23H25N5/c1-26(2)19-13-9-17(10-14-19)23(18-11-15-20(16-12-18)27(3)4)28-22-8-6-5-7-21(22)24-25-28/h5-16,23H,1-4H3
InChIKey
ODGMWVOSLIKULK-UHFFFAOYSA-N
Compound name
4-[benzotriazol-1-yl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

371.211 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.21828 191.3
[M+Na]+ 394.20022 198.2
[M-H]- 370.20372 201.0
[M+NH4]+ 389.24482 202.3
[M+K]+ 410.17416 193.3
[M+H-H2O]+ 354.20826 178.9
[M+HCOO]- 416.20920 213.6
[M+CH3COO]- 430.22485 201.3
[M+Na-2H]- 392.18567 194.8
[M]+ 371.21045 194.9
[M]- 371.21155 194.9
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