CID 165459181

N-nitrosonortriptyline

Structural Information

Molecular Formula
C19H20N2O
SMILES
CN(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)N=O
InChI
InChI=1S/C19H20N2O/c1-21(20-22)14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11H,6,12-14H2,1H3
InChIKey
HLXHGLYSNYJYEU-UHFFFAOYSA-N
Compound name
N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15756 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 167.1
[M+Na]+ 315.14678 172.2
[M-H]- 291.15028 175.6
[M+NH4]+ 310.19138 184.3
[M+K]+ 331.12072 172.7
[M+H-H2O]+ 275.15482 160.7
[M+HCOO]- 337.15576 190.4
[M+CH3COO]- 351.17141 214.3
[M+Na-2H]- 313.13223 173.9
[M]+ 292.15701 165.9
[M]- 292.15811 165.9
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.