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]+ 365.20845 187.2
[M+Na]+ 387.19039 198.8
[M+NH4]+ 382.23499 193.0
[M+K]+ 403.16433 193.2
[M-H]- 363.19389 191.3
[M+Na-2H]- 385.17584 194.9
[M]+ 364.20062 189.7
[M]- 364.20172 189.7
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.