CID 3068018

82619-90-7

Structural Information

Molecular Formula
C20H15ClN4O
SMILES
C1=CC=C(C=C1)N2C(=NN=C2NC3=CC=C(C=C3)Cl)C4=CC=CC=C4O
InChI
InChI=1S/C20H15ClN4O/c21-14-10-12-15(13-11-14)22-20-24-23-19(17-8-4-5-9-18(17)26)25(20)16-6-2-1-3-7-16/h1-13,26H,(H,22,24)
InChIKey
HKBDKEDHEYTSLB-UHFFFAOYSA-N
Compound name
2-[5-(4-chloroanilino)-4-phenyl-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.09344 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10072 183.8
[M+Na]+ 385.08266 193.1
[M-H]- 361.08616 191.8
[M+NH4]+ 380.12726 193.3
[M+K]+ 401.05660 184.2
[M+H-H2O]+ 345.09070 172.1
[M+HCOO]- 407.09164 200.2
[M+CH3COO]- 421.10729 193.6
[M+Na-2H]- 383.06811 187.2
[M]+ 362.09289 184.6
[M]- 362.09399 184.6
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.