CID 391319

Nsc690349

Structural Information

Molecular Formula
C16H15ClN6
SMILES
C1CCC2=NC3=C(C(=NN3C=C2C1)N)N=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C16H15ClN6/c17-11-5-7-12(8-6-11)20-21-14-15(18)22-23-9-10-3-1-2-4-13(10)19-16(14)23/h5-9H,1-4H2,(H2,18,22)
InChIKey
YWFWOTPKUMBXJM-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)diazenyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.10468 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11196 173.2
[M+Na]+ 349.09390 183.6
[M-H]- 325.09740 180.0
[M+NH4]+ 344.13850 188.2
[M+K]+ 365.06784 176.7
[M+H-H2O]+ 309.10194 162.4
[M+HCOO]- 371.10288 192.6
[M+CH3COO]- 385.11853 184.4
[M+Na-2H]- 347.07935 180.5
[M]+ 326.10413 175.1
[M]- 326.10523 175.1
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

No patent data available for this compound.