CID 135409034

Nsc655070

Structural Information

Molecular Formula
C19H19N7
SMILES
CCN=C1NC2=CC=CC=C2N3C4=C5C=CC=CC5=NN4N=C3N1CC
InChI
InChI=1S/C19H19N7/c1-3-20-18-21-15-11-7-8-12-16(15)25-17-13-9-5-6-10-14(13)22-26(17)23-19(25)24(18)4-2/h5-12H,3-4H2,1-2H3,(H,20,21)
InChIKey
OUKNXUMCYXXGJK-UHFFFAOYSA-N
Compound name
N,13-diethyl-1,9,10,11,13,15-hexazapentacyclo[10.9.0.02,10.03,8.016,21]henicosa-2,4,6,8,11,16,18,20-octaen-14-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1702 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17748 185.8
[M+Na]+ 368.15942 199.3
[M-H]- 344.16292 189.4
[M+NH4]+ 363.20402 198.7
[M+K]+ 384.13336 193.3
[M+H-H2O]+ 328.16746 174.1
[M+HCOO]- 390.16840 202.1
[M+CH3COO]- 404.18405 195.6
[M+Na-2H]- 366.14487 190.7
[M]+ 345.16965 188.0
[M]- 345.17075 188.0
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.