CID 7108591

3(1h-1,2,3-benzotriazol-1-yl)n'-(1-(3,4-dimethoxy-ph)ethylidene)propanohydrazide

Structural Information

Molecular Formula
C19H21N5O3
SMILES
C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C19H21N5O3/c1-13(14-8-9-17(26-2)18(12-14)27-3)20-22-19(25)10-11-24-16-7-5-4-6-15(16)21-23-24/h4-9,12H,10-11H2,1-3H3,(H,22,25)/b20-13+
InChIKey
YTHPRLAVPUWLFQ-DEDYPNTBSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.16443 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17171 186.4
[M+Na]+ 390.15365 193.9
[M-H]- 366.15715 192.1
[M+NH4]+ 385.19825 197.4
[M+K]+ 406.12759 190.2
[M+H-H2O]+ 350.16169 175.4
[M+HCOO]- 412.16263 209.6
[M+CH3COO]- 426.17828 223.2
[M+Na-2H]- 388.13910 190.7
[M]+ 367.16388 192.7
[M]- 367.16498 192.7
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.