CID 365295

Nsc632846

Structural Information

Molecular Formula
C19H18N6O2
SMILES
CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C19H18N6O2/c1-15-14-16(24(12-4-10-20)13-5-11-21)8-9-17(15)22-23-18-6-2-3-7-19(18)25(26)27/h2-3,6-9,14H,4-5,12-13H2,1H3
InChIKey
DDIRYQQRNWLODI-UHFFFAOYSA-N
Compound name
3-[N-(2-cyanoethyl)-3-methyl-4-[(2-nitrophenyl)diazenyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1491 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15638 198.0
[M+Na]+ 385.13832 204.4
[M-H]- 361.14182 203.1
[M+NH4]+ 380.18292 205.1
[M+K]+ 401.11226 197.7
[M+H-H2O]+ 345.14636 182.2
[M+HCOO]- 407.14730 213.3
[M+CH3COO]- 421.16295 242.7
[M+Na-2H]- 383.12377 198.1
[M]+ 362.14855 190.1
[M]- 362.14965 190.1
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.