CID 6866519

326001-92-7

Structural Information

Molecular Formula
C20H24N6O
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)CCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C20H24N6O/c1-3-25(4-2)17-11-9-16(10-12-17)15-21-23-20(27)13-14-26-19-8-6-5-7-18(19)22-24-26/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,27)/b21-15+
InChIKey
BSNNGNVEEGECMD-RCCKNPSSSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.20117 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.208446 187.6
[M+Na]+ 387.190388 193.7
[M-H]- 363.193894 193.9
[M+NH4]+ 382.234993 199.0
[M+K]+ 403.164328 189.3
[M+H-H2O]+ 347.198430 175.7
[M+HCOO]- 409.199371 212.6
[M+CH3COO]- 423.215021 228.1
[M+Na-2H]- 385.175836 193.1
[M]+ 364.20062142 192.2
[M]- 364.20171858 192.2
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.