CID 367589

Nsc637421

Structural Information

Molecular Formula
C18H15Cl2N3
SMILES
CC1=CC2=C(C(=C1C)C#N)N(N=C2C)CC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H15Cl2N3/c1-10-6-15-12(3)22-23(18(15)16(8-21)11(10)2)9-13-4-5-14(19)7-17(13)20/h4-7H,9H2,1-3H3
InChIKey
VPIYJNUXQLMYJP-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)methyl]-3,5,6-trimethylindazole-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0643 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07158 181.3
[M+Na]+ 366.05352 197.5
[M-H]- 342.05702 184.9
[M+NH4]+ 361.09812 195.5
[M+K]+ 382.02746 186.8
[M+H-H2O]+ 326.06156 167.1
[M+HCOO]- 388.06250 190.6
[M+CH3COO]- 402.07815 191.5
[M+Na-2H]- 364.03897 181.2
[M]+ 343.06375 183.2
[M]- 343.06485 183.2
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.