CID 6105786

452089-88-2

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-MOSHPQCFSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(Z)-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 186.1
[M+Na]+ 390.15365 198.1
[M+NH4]+ 385.19825 191.1
[M+K]+ 406.12759 194.0
[M-H]- 366.15715 188.7
[M+Na-2H]- 388.13910 192.6
[M]+ 367.16388 188.2
[M]- 367.16498 188.2
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.