CID 395137

Nsc699428

Structural Information

Molecular Formula
C25H28N4
SMILES
CCCN(CCC1=CC=C(C=C1)C2=CC=CC=C2)CCC3=CC4=NNN=C4C=C3
InChI
InChI=1S/C25H28N4/c1-2-16-29(18-15-21-10-13-24-25(19-21)27-28-26-24)17-14-20-8-11-23(12-9-20)22-6-4-3-5-7-22/h3-13,19H,2,14-18H2,1H3,(H,26,27,28)
InChIKey
UFXQUNBIPIMHTJ-UHFFFAOYSA-N
Compound name
N-[2-(2H-benzotriazol-5-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.23138 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23866 195.4
[M+Na]+ 407.22060 201.2
[M-H]- 383.22410 201.4
[M+NH4]+ 402.26520 204.7
[M+K]+ 423.19454 193.0
[M+H-H2O]+ 367.22864 182.9
[M+HCOO]- 429.22958 215.0
[M+CH3COO]- 443.24523 203.7
[M+Na-2H]- 405.20605 199.2
[M]+ 384.23083 197.2
[M]- 384.23193 197.2
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.