CID 169750

Einecs 252-870-8

Structural Information

Molecular Formula
C19H22ClN7
SMILES
CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C3C(=CC(=C2)Cl)N(NN3C)C
InChI
InChI=1S/C19H22ClN7/c1-4-27(11-5-10-21)16-8-6-15(7-9-16)22-23-17-12-14(20)13-18-19(17)26(3)24-25(18)2/h6-9,12-13,24H,4-5,11H2,1-3H3
InChIKey
FRDXRGKDMPRJCY-UHFFFAOYSA-N
Compound name
3-[4-[(6-chloro-1,3-dimethyl-2H-benzotriazol-4-yl)diazenyl]-N-ethylanilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.16254 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.16982 193.3
[M+Na]+ 406.15176 202.6
[M-H]- 382.15526 196.7
[M+NH4]+ 401.19636 203.4
[M+K]+ 422.12570 195.2
[M+H-H2O]+ 366.15980 175.5
[M+HCOO]- 428.16074 207.4
[M+CH3COO]- 442.17639 239.3
[M+Na-2H]- 404.13721 194.2
[M]+ 383.16199 191.5
[M]- 383.16309 191.5
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.